2-amino-N-cyclopropyl-3-methoxy-4-phenylmethoxybenzamide

C18H20N2O3 — CID 162701297

IUPAC2-amino-N-cyclopropyl-3-methoxy-4-phenylmethoxybenzamide
SMILESCOc1c(OCc2ccccc2)ccc(C(=O)NC2CC2)c1N
InChIInChI=1S/C18H20N2O3/c1-22-17-15(23-11-12-5-3-2-4-6-12)10-9-14(16(17)19)18(21)20-13-7-8-13/h2-6,9-10,13H,7-8,11,19H2,1H3,(H,20,21)
InChIKeyYLKLOVUMQIHCJQ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.75
Rot. Bonds6

About 2-amino-N-cyclopropyl-3-methoxy-4-phenylmethoxybenzamide

2-amino-N-cyclopropyl-3-methoxy-4-phenylmethoxybenzamide (PubChem CID 162701297) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-3-methoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-3-methoxy-4-phenylmethoxybenzamide
PubChem CID162701297
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-amino-N-cyclopropyl-3-methoxy-4-phenylmethoxybenzamide
SMILESCOc1c(OCc2ccccc2)ccc(C(=O)NC2CC2)c1N
InChIInChI=1S/C18H20N2O3/c1-22-17-15(23-11-12-5-3-2-4-6-12)10-9-14(16(17)19)18(21)20-13-7-8-13/h2-6,9-10,13H,7-8,11,19H2,1H3,(H,20,21)
InChIKeyYLKLOVUMQIHCJQ-UHFFFAOYSA-N
XLogP2.75
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-cyclopropyl-3-methoxy-4-phenylmethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-ethyl-3-methoxy-4-phenylmethoxybenzamide
CID 154973812
4-amino-N-cyclopentyl-2-phenylmethoxybenzamide
CID 146035949
methyl 6-acetyl-2-methoxy-3-phenylmethoxybenzoate
CID 91864043
N-cyclopropyl-4-methoxynaphthalene-1-carboxamide
CID 27537333
2-amino-3-methoxy-4-phenylmethoxybenzaldehyde
CID 137428196
N-cyclopentyl-4-ethenyl-2-phenylmethoxybenzamide
CID 171037749
N-cyclohexyl-2-[(2,3-dimethoxyphenoxy)methyl]benzamide
CID 91016522
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
N-cyclopropyl-1-(2-methylpropyl)-4-phenylmethoxyindole-2-carboxamide
CID 42807240
N-cyclopropyl-2-ethyl-3-methoxy-4-prop-2-ynoxybenzamide
CID 87698457
N-cyclopropyl-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzamide
CID 7944484
N-cyclopropyl-2-methoxy-5-phenylbenzamide
CID 110406431

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-3-methoxy-4-phenylmethoxybenzamide?
The IUPAC name of 2-amino-N-cyclopropyl-3-methoxy-4-phenylmethoxybenzamide (CID 162701297) is 2-amino-N-cyclopropyl-3-methoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-3-methoxy-4-phenylmethoxybenzamide?
The canonical SMILES for 2-amino-N-cyclopropyl-3-methoxy-4-phenylmethoxybenzamide is COc1c(OCc2ccccc2)ccc(C(=O)NC2CC2)c1N.
What is the InChIKey of 2-amino-N-cyclopropyl-3-methoxy-4-phenylmethoxybenzamide?
The InChIKey is YLKLOVUMQIHCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-17-15(23-11-12-5-3-2-4-6-12)10-9-14(16(17)19)18(21)20-13-7-8-13/h2-6,9-10,13H,7-8,11,19H2,1H3,(H,20,21).
What are the key properties of 2-amino-N-cyclopropyl-3-methoxy-4-phenylmethoxybenzamide?
2-amino-N-cyclopropyl-3-methoxy-4-phenylmethoxybenzamide has a molecular weight of 312.37 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-3-methoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 162701297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).