2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-(oxan-4-yl)acetamide

C14H27N3O4 — CID 120788034

IUPAC2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-(oxan-4-yl)acetamide
SMILESCOCCN(CC(=O)N(C)C)C(=O)C(N)C1CCOCC1
InChIInChI=1S/C14H27N3O4/c1-16(2)12(18)10-17(6-9-20-3)14(19)13(15)11-4-7-21-8-5-11/h11,13H,4-10,15H2,1-3H3
InChIKeyNMHBRNBFMZTJBR-UHFFFAOYSA-N
MW301.39 g/mol
LogP-0.70
Rot. Bonds7

About 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-(oxan-4-yl)acetamide

2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-(oxan-4-yl)acetamide (PubChem CID 120788034) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-(oxan-4-yl)acetamide
PubChem CID120788034
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-(oxan-4-yl)acetamide
SMILESCOCCN(CC(=O)N(C)C)C(=O)C(N)C1CCOCC1
InChIInChI=1S/C14H27N3O4/c1-16(2)12(18)10-17(6-9-20-3)14(19)13(15)11-4-7-21-8-5-11/h11,13H,4-10,15H2,1-3H3
InChIKeyNMHBRNBFMZTJBR-UHFFFAOYSA-N
XLogP-0.70
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(2-ethoxyethyl)-N-ethyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120790311
2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120799495
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylpentanamide
CID 54871190
3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897564
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-methylsulfanylbutanamide
CID 61165462
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 104897454
3-amino-N,N-dimethyl-3-(oxan-4-yl)propanamide
CID 116850358
N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methyl-3-(methylamino)propanamide
CID 79202084
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methoxy-N-propylpropanamide
CID 81088934
2-amino-2-(oxan-4-yl)-N-(oxan-2-ylmethyl)-N-propylacetamide
CID 120792434
2-amino-N-(2-methoxyethyl)-N-(oxan-4-yl)acetamide
CID 121203582
2-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-(oxan-4-yl)acetamide
CID 120801790

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-(oxan-4-yl)acetamide (CID 120788034) is 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-(oxan-4-yl)acetamide is COCCN(CC(=O)N(C)C)C(=O)C(N)C1CCOCC1.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-(oxan-4-yl)acetamide?
The InChIKey is NMHBRNBFMZTJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-16(2)12(18)10-17(6-9-20-3)14(19)13(15)11-4-7-21-8-5-11/h11,13H,4-10,15H2,1-3H3.
What are the key properties of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-(oxan-4-yl)acetamide?
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-(oxan-4-yl)acetamide has a molecular weight of 301.39 g/mol, XLogP of -0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120788034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).