1-N-(3-acetamidophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide

C21H23N3O3 — CID 109135544

IUPAC1-N-(3-acetamidophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CC2C(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C21H23N3O3/c1-13-6-8-15(9-7-13)12-22-20(26)18-11-19(18)21(27)24-17-5-3-4-16(10-17)23-14(2)25/h3-10,18-19H,11-12H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyNWFCIVLUOBGUQO-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.84
Rot. Bonds6

About 1-N-(3-acetamidophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide

1-N-(3-acetamidophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109135544) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-N-(3-acetamidophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-acetamidophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
PubChem CID109135544
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-N-(3-acetamidophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CC2C(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C21H23N3O3/c1-13-6-8-15(9-7-13)12-22-20(26)18-11-19(18)21(27)24-17-5-3-4-16(10-17)23-14(2)25/h3-10,18-19H,11-12H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyNWFCIVLUOBGUQO-UHFFFAOYSA-N
XLogP2.84
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-acetamidophenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136122
1-N-(3,5-dimethylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135500
1-N-(4-acetylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135543
1-N-(4-chlorophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135518
1-N-(3-acetamidophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137772
1-N-[4-(diethylamino)phenyl]-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135550
2-N-(3-acetamidophenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142442
2-N-benzyl-1-N-(3-bromophenyl)cyclopropane-1,2-dicarboxamide
CID 109135103
1-N-(2-chlorophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135516
2-N-[(4-methoxyphenyl)methyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109136562
2-N-(furan-2-ylmethyl)-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109134861
2-N-(3-acetamidophenyl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142024

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-acetamidophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-acetamidophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide (CID 109135544) is 1-N-(3-acetamidophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-acetamidophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-acetamidophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide is CC(=O)Nc1cccc(NC(=O)C2CC2C(=O)NCc2ccc(C)cc2)c1.
What is the InChIKey of 1-N-(3-acetamidophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is NWFCIVLUOBGUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-6-8-15(9-7-13)12-22-20(26)18-11-19(18)21(27)24-17-5-3-4-16(10-17)23-14(2)25/h3-10,18-19H,11-12H2,1-2H3,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of 1-N-(3-acetamidophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
1-N-(3-acetamidophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-acetamidophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109135544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).