N-(1-aminopropan-2-yl)-2-(4-benzylmorpholin-2-yl)-N-methylacetamide

C17H27N3O2 — CID 119582704

IUPACN-(1-aminopropan-2-yl)-2-(4-benzylmorpholin-2-yl)-N-methylacetamide
SMILESCC(CN)N(C)C(=O)CC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C17H27N3O2/c1-14(11-18)19(2)17(21)10-16-13-20(8-9-22-16)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13,18H2,1-2H3
InChIKeyDMZGYFZDFDDIFD-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.08
Rot. Bonds6

About N-(1-aminopropan-2-yl)-2-(4-benzylmorpholin-2-yl)-N-methylacetamide

N-(1-aminopropan-2-yl)-2-(4-benzylmorpholin-2-yl)-N-methylacetamide (PubChem CID 119582704) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-(4-benzylmorpholin-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-(4-benzylmorpholin-2-yl)-N-methylacetamide
PubChem CID119582704
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(1-aminopropan-2-yl)-2-(4-benzylmorpholin-2-yl)-N-methylacetamide
SMILESCC(CN)N(C)C(=O)CC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C17H27N3O2/c1-14(11-18)19(2)17(21)10-16-13-20(8-9-22-16)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13,18H2,1-2H3
InChIKeyDMZGYFZDFDDIFD-UHFFFAOYSA-N
XLogP1.08
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(4-benzylmorpholin-2-yl)acetyl]-methylamino]propanoic acid
CID 119362755
N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 119995447
2-(4-benzylmorpholin-2-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 111596023
(2R)-2-[[2-[(2S)-4-benzylmorpholin-2-yl]acetyl]amino]-3-methylbutanoic acid
CID 124681649
2-(4-benzylmorpholin-2-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 56794454
2-[(2S)-4-benzylmorpholin-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 95633368
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829898
(2R)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829876
2-(4-benzylmorpholin-2-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 91842855
2-[(4-benzylmorpholine-2-carbonyl)-methylamino]propanoic acid
CID 119359267
N-(2-aminoethyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 119383303
2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide
CID 111539052

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-(4-benzylmorpholin-2-yl)-N-methylacetamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-(4-benzylmorpholin-2-yl)-N-methylacetamide (CID 119582704) is N-(1-aminopropan-2-yl)-2-(4-benzylmorpholin-2-yl)-N-methylacetamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-(4-benzylmorpholin-2-yl)-N-methylacetamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-(4-benzylmorpholin-2-yl)-N-methylacetamide is CC(CN)N(C)C(=O)CC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-(4-benzylmorpholin-2-yl)-N-methylacetamide?
The InChIKey is DMZGYFZDFDDIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14(11-18)19(2)17(21)10-16-13-20(8-9-22-16)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13,18H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-2-(4-benzylmorpholin-2-yl)-N-methylacetamide?
N-(1-aminopropan-2-yl)-2-(4-benzylmorpholin-2-yl)-N-methylacetamide has a molecular weight of 305.42 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-(4-benzylmorpholin-2-yl)-N-methylacetamide is sourced from PubChem (CID 119582704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).