4-[[cyclopropyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]methyl]benzamide

C21H24N2O4 — CID 38371290

IUPAC4-[[cyclopropyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]methyl]benzamide
SMILESCOc1ccc(CC(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)cc1OC
InChIInChI=1S/C21H24N2O4/c1-26-18-10-5-15(11-19(18)27-2)12-20(24)23(17-8-9-17)13-14-3-6-16(7-4-14)21(22)25/h3-7,10-11,17H,8-9,12-13H2,1-2H3,(H2,22,25)
InChIKeyPOYXCGZJFDFETQ-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.54
Rot. Bonds8

About 4-[[cyclopropyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]methyl]benzamide

4-[[cyclopropyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]methyl]benzamide (PubChem CID 38371290) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-[[cyclopropyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[cyclopropyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]methyl]benzamide
PubChem CID38371290
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name4-[[cyclopropyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]methyl]benzamide
SMILESCOc1ccc(CC(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)cc1OC
InChIInChI=1S/C21H24N2O4/c1-26-18-10-5-15(11-19(18)27-2)12-20(24)23(17-8-9-17)13-14-3-6-16(7-4-14)21(22)25/h3-7,10-11,17H,8-9,12-13H2,1-2H3,(H2,22,25)
InChIKeyPOYXCGZJFDFETQ-UHFFFAOYSA-N
XLogP2.54
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-acetyl-2-methoxyphenyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 39966518
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide
CID 29304680
4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide
CID 38252727
4-[[cyclopropyl-(2-naphthalen-1-ylacetyl)amino]methyl]benzamide
CID 38363437
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 31425201
4-[[cyclopropyl-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]methyl]benzamide
CID 38371529
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxy-4-methylbenzamide
CID 18169209
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 18202925
2-cyano-N-[(3,4-dimethoxyphenyl)methyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 99786474
3-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzamide
CID 55733850
4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride
CID 119291590
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488291

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]methyl]benzamide?
The IUPAC name of 4-[[cyclopropyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]methyl]benzamide (CID 38371290) is 4-[[cyclopropyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[cyclopropyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]methyl]benzamide?
The canonical SMILES for 4-[[cyclopropyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]methyl]benzamide is COc1ccc(CC(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)cc1OC.
What is the InChIKey of 4-[[cyclopropyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]methyl]benzamide?
The InChIKey is POYXCGZJFDFETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-18-10-5-15(11-19(18)27-2)12-20(24)23(17-8-9-17)13-14-3-6-16(7-4-14)21(22)25/h3-7,10-11,17H,8-9,12-13H2,1-2H3,(H2,22,25).
What are the key properties of 4-[[cyclopropyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]methyl]benzamide?
4-[[cyclopropyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]methyl]benzamide has a molecular weight of 368.43 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 38371290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).