N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide

C17H27N3O2 — CID 119995447

IUPACN-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide
SMILESCC(CN)CNC(=O)CC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C17H27N3O2/c1-14(10-18)11-19-17(21)9-16-13-20(7-8-22-16)12-15-5-3-2-4-6-15/h2-6,14,16H,7-13,18H2,1H3,(H,19,21)
InChIKeyJOGQJZUIOQEMPD-UHFFFAOYSA-N
MW305.42 g/mol
LogP0.99
Rot. Bonds7

About N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide

N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide (PubChem CID 119995447) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide
PubChem CID119995447
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide
SMILESCC(CN)CNC(=O)CC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C17H27N3O2/c1-14(10-18)11-19-17(21)9-16-13-20(7-8-22-16)12-15-5-3-2-4-6-15/h2-6,14,16H,7-13,18H2,1H3,(H,19,21)
InChIKeyJOGQJZUIOQEMPD-UHFFFAOYSA-N
XLogP0.99
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylmorpholin-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111540025
N-(2-aminoethyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 119383303
2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide
CID 111539052
(2R)-2-[[2-[(2S)-4-benzylmorpholin-2-yl]acetyl]amino]-3-methylbutanoic acid
CID 124681649
N-(1-aminopropan-2-yl)-2-(4-benzylmorpholin-2-yl)-N-methylacetamide
CID 119582704
4-[[[2-[(2R)-4-benzylmorpholin-2-yl]acetyl]amino]methyl]benzoic acid
CID 124703826
2-(4-benzylmorpholin-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]acetamide
CID 71991420
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
(2R)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829876
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829898
N-(2-amino-1-cyclohexylethyl)-2-(4-benzylmorpholin-2-yl)acetamide;dihydrochloride
CID 119590174
2-(4-benzylmorpholin-2-yl)-N-[2-(cycloheptylamino)ethyl]acetamide
CID 119620021

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide (CID 119995447) is N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide is CC(CN)CNC(=O)CC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide?
The InChIKey is JOGQJZUIOQEMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14(10-18)11-19-17(21)9-16-13-20(7-8-22-16)12-15-5-3-2-4-6-15/h2-6,14,16H,7-13,18H2,1H3,(H,19,21).
What are the key properties of N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide?
N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide has a molecular weight of 305.42 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide is sourced from PubChem (CID 119995447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).