3-amino-N-(2-amino-2-oxoethyl)-N-[(3-methoxyphenyl)methyl]benzamide

C17H19N3O3 — CID 144888017

IUPAC3-amino-N-(2-amino-2-oxoethyl)-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CN(CC(N)=O)C(=O)c2cccc(N)c2)c1
InChIInChI=1S/C17H19N3O3/c1-23-15-7-2-4-12(8-15)10-20(11-16(19)21)17(22)13-5-3-6-14(18)9-13/h2-9H,10-11,18H2,1H3,(H2,19,21)
InChIKeyNJBVEYZRQZZYMZ-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.41
Rot. Bonds6

About 3-amino-N-(2-amino-2-oxoethyl)-N-[(3-methoxyphenyl)methyl]benzamide

3-amino-N-(2-amino-2-oxoethyl)-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 144888017) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-amino-N-(2-amino-2-oxoethyl)-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-N-(2-amino-2-oxoethyl)-N-[(3-methoxyphenyl)methyl]benzamide
PubChem CID144888017
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name3-amino-N-(2-amino-2-oxoethyl)-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CN(CC(N)=O)C(=O)c2cccc(N)c2)c1
InChIInChI=1S/C17H19N3O3/c1-23-15-7-2-4-12(8-15)10-20(11-16(19)21)17(22)13-5-3-6-14(18)9-13/h2-9H,10-11,18H2,1H3,(H2,19,21)
InChIKeyNJBVEYZRQZZYMZ-UHFFFAOYSA-N
XLogP1.41
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[(3-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 124611067
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
3-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide
CID 54906297
methyl 2-[2-[(2-amino-2-oxoethyl)-[(3-methoxyphenyl)methyl]carbamoyl]phenoxy]acetate
CID 144888078
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939211
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 78800954
1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10293708
4-(2-amino-2-oxoethoxy)-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 166194594
3-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 119814507
3-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]aniline
CID 43459109
methyl 2-[(3-methoxybenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952792
3-methoxy-N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42725516

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-N-[(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-N-[(3-methoxyphenyl)methyl]benzamide (CID 144888017) is 3-amino-N-(2-amino-2-oxoethyl)-N-[(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-amino-N-(2-amino-2-oxoethyl)-N-[(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-amino-N-(2-amino-2-oxoethyl)-N-[(3-methoxyphenyl)methyl]benzamide is COc1cccc(CN(CC(N)=O)C(=O)c2cccc(N)c2)c1.
What is the InChIKey of 3-amino-N-(2-amino-2-oxoethyl)-N-[(3-methoxyphenyl)methyl]benzamide?
The InChIKey is NJBVEYZRQZZYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-23-15-7-2-4-12(8-15)10-20(11-16(19)21)17(22)13-5-3-6-14(18)9-13/h2-9H,10-11,18H2,1H3,(H2,19,21).
What are the key properties of 3-amino-N-(2-amino-2-oxoethyl)-N-[(3-methoxyphenyl)methyl]benzamide?
3-amino-N-(2-amino-2-oxoethyl)-N-[(3-methoxyphenyl)methyl]benzamide has a molecular weight of 313.36 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-amino-2-oxoethyl)-N-[(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 144888017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).