3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide

C12H16N2O2 — CID 16788362

IUPAC3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CC2)cc1N
InChIInChI=1S/C12H16N2O2/c1-16-11-5-4-9(6-10(11)13)12(15)14-7-8-2-3-8/h4-6,8H,2-3,7,13H2,1H3,(H,14,15)
InChIKeyRDMQGNGVVFNEDC-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.42
Rot. Bonds4

About 3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide

3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide (PubChem CID 16788362) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
PubChem CID16788362
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CC2)cc1N
InChIInChI=1S/C12H16N2O2/c1-16-11-5-4-9(6-10(11)13)12(15)14-7-8-2-3-8/h4-6,8H,2-3,7,13H2,1H3,(H,14,15)
InChIKeyRDMQGNGVVFNEDC-UHFFFAOYSA-N
XLogP1.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide
CID 106124772
3-amino-N-(2-cyclopentylethyl)-4-methoxybenzamide
CID 54932498
4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107411010
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxybenzamide
CID 16781423
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
3-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16795062
N-[(3-aminocyclobutyl)methyl]-3,4-dimethoxybenzamide
CID 66004934
N-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide
CID 106124416
N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide
CID 103280095
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771
3-amino-N-(cyclobutylmethyl)-4-(trifluoromethoxy)benzamide
CID 116628568
4-amino-3-methoxy-N-(thiolan-3-ylmethyl)benzamide
CID 107294730

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide?
The IUPAC name of 3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide (CID 16788362) is 3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide.
What is the SMILES notation for 3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide?
The canonical SMILES for 3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide is COc1ccc(C(=O)NCC2CC2)cc1N.
What is the InChIKey of 3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide?
The InChIKey is RDMQGNGVVFNEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-11-5-4-9(6-10(11)13)12(15)14-7-8-2-3-8/h4-6,8H,2-3,7,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide?
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide has a molecular weight of 220.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide is sourced from PubChem (CID 16788362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).