N-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide

C21H25N3O3 — CID 86908948

IUPACN-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
SMILESCOc1ccc(CN(CC(=O)Nc2cccc(NC(C)=O)c2)C2CC2)cc1
InChIInChI=1S/C21H25N3O3/c1-15(25)22-17-4-3-5-18(12-17)23-21(26)14-24(19-8-9-19)13-16-6-10-20(27-2)11-7-16/h3-7,10-12,19H,8-9,13-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyFUSKQOQRWLJZMF-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.26
Rot. Bonds8

About N-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide

N-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide (PubChem CID 86908948) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
PubChem CID86908948
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
SMILESCOc1ccc(CN(CC(=O)Nc2cccc(NC(C)=O)c2)C2CC2)cc1
InChIInChI=1S/C21H25N3O3/c1-15(25)22-17-4-3-5-18(12-17)23-21(26)14-24(19-8-9-19)13-16-6-10-20(27-2)11-7-16/h3-7,10-12,19H,8-9,13-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyFUSKQOQRWLJZMF-UHFFFAOYSA-N
XLogP3.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770105
N'-acetyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetohydrazide
CID 8770707
methyl 4-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetyl]amino]benzoate
CID 8770093
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 8769959
N-(4-cyanophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770129
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8770322
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8769999
3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 39966520
N-(2-bromo-4-methylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770119
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 87014264
N-(3-acetamidophenyl)-3-(4-methoxyphenyl)propanamide
CID 2671013
N-(2-chloro-4-fluorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770040

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide (CID 86908948) is N-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide is COc1ccc(CN(CC(=O)Nc2cccc(NC(C)=O)c2)C2CC2)cc1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide?
The InChIKey is FUSKQOQRWLJZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15(25)22-17-4-3-5-18(12-17)23-21(26)14-24(19-8-9-19)13-16-6-10-20(27-2)11-7-16/h3-7,10-12,19H,8-9,13-14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide?
N-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide has a molecular weight of 367.45 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide is sourced from PubChem (CID 86908948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).