N-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide

C21H25N3O4 — CID 54814225

IUPACN-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
SMILESCOc1ccc(OC)c(NCC(=O)Nc2cccc(NC(=O)C3CC3)c2C)c1
InChIInChI=1S/C21H25N3O4/c1-13-16(5-4-6-17(13)24-21(26)14-7-8-14)23-20(25)12-22-18-11-15(27-2)9-10-19(18)28-3/h4-6,9-11,14,22H,7-8,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyFZYQCJWUAHMDEN-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.41
Rot. Bonds8

About N-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide

N-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide (PubChem CID 54814225) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
PubChem CID54814225
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
SMILESCOc1ccc(OC)c(NCC(=O)Nc2cccc(NC(=O)C3CC3)c2C)c1
InChIInChI=1S/C21H25N3O4/c1-13-16(5-4-6-17(13)24-21(26)14-7-8-14)23-20(25)12-22-18-11-15(27-2)9-10-19(18)28-3/h4-6,9-11,14,22H,7-8,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyFZYQCJWUAHMDEN-UHFFFAOYSA-N
XLogP3.41
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,5-dimethoxyanilino)acetamide
CID 109009482
4-N-(2,5-dimethoxyphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150438
N-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54815961
N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54845319
N-[2-methyl-3-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]phenyl]cyclopropanecarboxamide
CID 54844663
N-(3-chloro-2-methylphenyl)-3-(2,5-dimethoxyanilino)propanamide
CID 109038272
N-[2-methyl-3-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]phenyl]cyclopropanecarboxamide
CID 54844689
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 9099909
2-(2,5-dimethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54814166
N-[2-methyl-3-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide
CID 54845193
3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide
CID 54842558
4-butyl-N-(2,5-dimethoxyphenyl)cyclohexane-1-carboxamide
CID 19206893

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide (CID 54814225) is N-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide is COc1ccc(OC)c(NCC(=O)Nc2cccc(NC(=O)C3CC3)c2C)c1.
What is the InChIKey of N-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
The InChIKey is FZYQCJWUAHMDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-13-16(5-4-6-17(13)24-21(26)14-7-8-14)23-20(25)12-22-18-11-15(27-2)9-10-19(18)28-3/h4-6,9-11,14,22H,7-8,12H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
N-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 54814225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).