N,N-diethylacetamide;methane;1-morpholin-4-ylethanone;N-(2-phenylethyl)acetamide;N-(2-pyridin-2-ylethyl)acetamide;N-(pyridin-4-ylmethyl)acetamide;1-pyrrolidin-1-ylethanone

C46H74N8O7 — CID 159828474

IUPACN,N-diethylacetamide;methane;1-morpholin-4-ylethanone;N-(2-phenylethyl)acetamide;N-(2-pyridin-2-ylethyl)acetamide;N-(pyridin-4-ylmethyl)acetamide;1-pyrrolidin-1-ylethanone
SMILESC.CC(=O)N1CCCC1.CC(=O)N1CCOCC1.CC(=O)NCCc1ccccc1.CC(=O)NCCc1ccccn1.CC(=O)NCc1ccncc1.CCN(CC)C(C)=O
InChIInChI=1S/C10H13NO.C9H12N2O.C8H10N2O.C6H11NO2.C6H11NO.C6H13NO.CH4/c1-9(12)11-8-7-10-5-3-2-4-6-10;1-8(12)10-7-5-9-4-2-3-6-11-9;1-7(11)10-6-8-2-4-9-5-3-8;1-6(8)7-2-4-9-5-3-7;1-6(8)7-4-2-3-5-7;1-4-7(5-2)6(3)8;/h2-6H,7-8H2,1H3,(H,11,12);2-4,6H,5,7H2,1H3,(H,10,12);2-5H,6H2,1H3,(H,10,11);2-5H2,1H3;2-5H2,1H3;4-5H2,1-3H3;1H4
InChIKeyNNDOZKDGYJDRND-UHFFFAOYSA-N
MW851.15 g/mol
LogP4.85
Rot. Bonds10

About N,N-diethylacetamide;methane;1-morpholin-4-ylethanone;N-(2-phenylethyl)acetamide;N-(2-pyridin-2-ylethyl)acetamide;N-(pyridin-4-ylmethyl)acetamide;1-pyrrolidin-1-ylethanone

N,N-diethylacetamide;methane;1-morpholin-4-ylethanone;N-(2-phenylethyl)acetamide;N-(2-pyridin-2-ylethyl)acetamide;N-(pyridin-4-ylmethyl)acetamide;1-pyrrolidin-1-ylethanone (PubChem CID 159828474) has the molecular formula C46H74N8O7 and a molecular weight of 851.15 g/mol. Its IUPAC name is N,N-diethylacetamide;methane;1-morpholin-4-ylethanone;N-(2-phenylethyl)acetamide;N-(2-pyridin-2-ylethyl)acetamide;N-(pyridin-4-ylmethyl)acetamide;1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound NameN,N-diethylacetamide;methane;1-morpholin-4-ylethanone;N-(2-phenylethyl)acetamide;N-(2-pyridin-2-ylethyl)acetamide;N-(pyridin-4-ylmethyl)acetamide;1-pyrrolidin-1-ylethanone
PubChem CID159828474
Molecular FormulaC46H74N8O7
Molecular Weight851.15 g/mol
Exact Mass850.57
IUPAC NameN,N-diethylacetamide;methane;1-morpholin-4-ylethanone;N-(2-phenylethyl)acetamide;N-(2-pyridin-2-ylethyl)acetamide;N-(pyridin-4-ylmethyl)acetamide;1-pyrrolidin-1-ylethanone
SMILESC.CC(=O)N1CCCC1.CC(=O)N1CCOCC1.CC(=O)NCCc1ccccc1.CC(=O)NCCc1ccccn1.CC(=O)NCc1ccncc1.CCN(CC)C(C)=O
InChIInChI=1S/C10H13NO.C9H12N2O.C8H10N2O.C6H11NO2.C6H11NO.C6H13NO.CH4/c1-9(12)11-8-7-10-5-3-2-4-6-10;1-8(12)10-7-5-9-4-2-3-6-11-9;1-7(11)10-6-8-2-4-9-5-3-8;1-6(8)7-2-4-9-5-3-7;1-6(8)7-4-2-3-5-7;1-4-7(5-2)6(3)8;/h2-6H,7-8H2,1H3,(H,11,12);2-4,6H,5,7H2,1H3,(H,10,12);2-5H,6H2,1H3,(H,10,11);2-5H2,1H3;2-5H2,1H3;4-5H2,1-3H3;1H4
InChIKeyNNDOZKDGYJDRND-UHFFFAOYSA-N
XLogP4.85
TPSA183.24 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500851.15
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N,N-diethylacetamide;methane;1-morpholin-4-ylethanone;N-(2-phenylethyl)acetamide;N-(2-pyridin-2-ylethyl)acetamide;N-(pyridin-4-ylmethyl)acetamide;1-pyrrolidin-1-ylethanone with MolForge

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Launch Full Analysis

Related Compounds

N'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane
CID 90877538
1,1-diethyl-3-(2-pyridin-2-ylethyl)urea
CID 115583070
4-acetyl-2-methyl-N-(2-pyridin-4-ylethyl)morpholine-2-carboxamide
CID 110094656
2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-(pyridin-4-ylmethyl)propanamide
CID 108959832
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-morpholin-4-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-pyridin-2-ylethyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(pyridin-2-ylmethyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 161428633
1-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 60569503
(3aS,7aR)-5-acetyl-N-(2-pyridin-2-ylethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 125235405
3-(4-acetyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 91921094
2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-(pyridin-2-ylmethyl)propanamide
CID 108959830
N-(2-phenylethyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999079
2,2-dimethyl-N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963643
(2S)-N-benzyl-4-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide
CID 92618504

Frequently Asked Questions

What is the IUPAC name of N,N-diethylacetamide;methane;1-morpholin-4-ylethanone;N-(2-phenylethyl)acetamide;N-(2-pyridin-2-ylethyl)acetamide;N-(pyridin-4-ylmethyl)acetamide;1-pyrrolidin-1-ylethanone?
The IUPAC name of N,N-diethylacetamide;methane;1-morpholin-4-ylethanone;N-(2-phenylethyl)acetamide;N-(2-pyridin-2-ylethyl)acetamide;N-(pyridin-4-ylmethyl)acetamide;1-pyrrolidin-1-ylethanone (CID 159828474) is N,N-diethylacetamide;methane;1-morpholin-4-ylethanone;N-(2-phenylethyl)acetamide;N-(2-pyridin-2-ylethyl)acetamide;N-(pyridin-4-ylmethyl)acetamide;1-pyrrolidin-1-ylethanone.
What is the SMILES notation for N,N-diethylacetamide;methane;1-morpholin-4-ylethanone;N-(2-phenylethyl)acetamide;N-(2-pyridin-2-ylethyl)acetamide;N-(pyridin-4-ylmethyl)acetamide;1-pyrrolidin-1-ylethanone?
The canonical SMILES for N,N-diethylacetamide;methane;1-morpholin-4-ylethanone;N-(2-phenylethyl)acetamide;N-(2-pyridin-2-ylethyl)acetamide;N-(pyridin-4-ylmethyl)acetamide;1-pyrrolidin-1-ylethanone is C.CC(=O)N1CCCC1.CC(=O)N1CCOCC1.CC(=O)NCCc1ccccc1.CC(=O)NCCc1ccccn1.CC(=O)NCc1ccncc1.CCN(CC)C(C)=O.
What is the InChIKey of N,N-diethylacetamide;methane;1-morpholin-4-ylethanone;N-(2-phenylethyl)acetamide;N-(2-pyridin-2-ylethyl)acetamide;N-(pyridin-4-ylmethyl)acetamide;1-pyrrolidin-1-ylethanone?
The InChIKey is NNDOZKDGYJDRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.C9H12N2O.C8H10N2O.C6H11NO2.C6H11NO.C6H13NO.CH4/c1-9(12)11-8-7-10-5-3-2-4-6-10;1-8(12)10-7-5-9-4-2-3-6-11-9;1-7(11)10-6-8-2-4-9-5-3-8;1-6(8)7-2-4-9-5-3-7;1-6(8)7-4-2-3-5-7;1-4-7(5-2)6(3)8;/h2-6H,7-8H2,1H3,(H,11,12);2-4,6H,5,7H2,1H3,(H,10,12);2-5H,6H2,1H3,(H,10,11);2-5H2,1H3;2-5H2,1H3;4-5H2,1-3H3;1H4.
What are the key properties of N,N-diethylacetamide;methane;1-morpholin-4-ylethanone;N-(2-phenylethyl)acetamide;N-(2-pyridin-2-ylethyl)acetamide;N-(pyridin-4-ylmethyl)acetamide;1-pyrrolidin-1-ylethanone?
N,N-diethylacetamide;methane;1-morpholin-4-ylethanone;N-(2-phenylethyl)acetamide;N-(2-pyridin-2-ylethyl)acetamide;N-(pyridin-4-ylmethyl)acetamide;1-pyrrolidin-1-ylethanone has a molecular weight of 851.15 g/mol, XLogP of 4.85, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylacetamide;methane;1-morpholin-4-ylethanone;N-(2-phenylethyl)acetamide;N-(2-pyridin-2-ylethyl)acetamide;N-(pyridin-4-ylmethyl)acetamide;1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 159828474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).