N-(3-anilinopropyl)-1-(3,5-dimethylphenyl)cyclopropane-1-carboxamide

C21H26N2O — CID 56586470

IUPACN-(3-anilinopropyl)-1-(3,5-dimethylphenyl)cyclopropane-1-carboxamide
SMILESCc1cc(C)cc(C2(C(=O)NCCCNc3ccccc3)CC2)c1
InChIInChI=1S/C21H26N2O/c1-16-13-17(2)15-18(14-16)21(9-10-21)20(24)23-12-6-11-22-19-7-4-3-5-8-19/h3-5,7-8,13-15,22H,6,9-12H2,1-2H3,(H,23,24)
InChIKeyKNWNCGQGKONUDM-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.95
Rot. Bonds7

About N-(3-anilinopropyl)-1-(3,5-dimethylphenyl)cyclopropane-1-carboxamide

N-(3-anilinopropyl)-1-(3,5-dimethylphenyl)cyclopropane-1-carboxamide (PubChem CID 56586470) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-(3-anilinopropyl)-1-(3,5-dimethylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-anilinopropyl)-1-(3,5-dimethylphenyl)cyclopropane-1-carboxamide
PubChem CID56586470
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-(3-anilinopropyl)-1-(3,5-dimethylphenyl)cyclopropane-1-carboxamide
SMILESCc1cc(C)cc(C2(C(=O)NCCCNc3ccccc3)CC2)c1
InChIInChI=1S/C21H26N2O/c1-16-13-17(2)15-18(14-16)21(9-10-21)20(24)23-12-6-11-22-19-7-4-3-5-8-19/h3-5,7-8,13-15,22H,6,9-12H2,1-2H3,(H,23,24)
InChIKeyKNWNCGQGKONUDM-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-(3-anilinopropyl)cyclopropane-1-carboxamide
CID 119867759
3-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701200
1-(3,5-dimethylphenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
CID 56817206
N-(3-iodopropyl)-1-phenylcyclopropane-1-carboxamide
CID 114504381
3-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid
CID 119236921
4-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid
CID 119170628
2-[4-[2-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]ethyl]phenoxy]acetic acid
CID 119255604
N-(6-aminohexyl)-1-phenylcyclopropane-1-carboxamide
CID 107844202
N-[3-(dimethylamino)propyl]-1-phenylcyclobutane-1-carboxamide
CID 110437520
5-[[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid
CID 119245882
N-(3-anilinopropyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 56586633
N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide
CID 33175947

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinopropyl)-1-(3,5-dimethylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-anilinopropyl)-1-(3,5-dimethylphenyl)cyclopropane-1-carboxamide (CID 56586470) is N-(3-anilinopropyl)-1-(3,5-dimethylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-anilinopropyl)-1-(3,5-dimethylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-anilinopropyl)-1-(3,5-dimethylphenyl)cyclopropane-1-carboxamide is Cc1cc(C)cc(C2(C(=O)NCCCNc3ccccc3)CC2)c1.
What is the InChIKey of N-(3-anilinopropyl)-1-(3,5-dimethylphenyl)cyclopropane-1-carboxamide?
The InChIKey is KNWNCGQGKONUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-16-13-17(2)15-18(14-16)21(9-10-21)20(24)23-12-6-11-22-19-7-4-3-5-8-19/h3-5,7-8,13-15,22H,6,9-12H2,1-2H3,(H,23,24).
What are the key properties of N-(3-anilinopropyl)-1-(3,5-dimethylphenyl)cyclopropane-1-carboxamide?
N-(3-anilinopropyl)-1-(3,5-dimethylphenyl)cyclopropane-1-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinopropyl)-1-(3,5-dimethylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 56586470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).