4-[5-[[1-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-dimethylbenzamide

C28H30N2O2 — CID 143517066

IUPAC4-[5-[[1-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-dimethylbenzamide
SMILESCc1ccc(C2(C(=O)Nc3ccc(C)c(-c4ccc(C(=O)N(C)C)cc4)c3)CC2)cc1C
InChIInChI=1S/C28H30N2O2/c1-18-6-12-23(16-20(18)3)28(14-15-28)27(32)29-24-13-7-19(2)25(17-24)21-8-10-22(11-9-21)26(31)30(4)5/h6-13,16-17H,14-15H2,1-5H3,(H,29,32)
InChIKeyKVHURHCMXUDYKJ-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.65
Rot. Bonds5

About 4-[5-[[1-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-dimethylbenzamide

4-[5-[[1-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-dimethylbenzamide (PubChem CID 143517066) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 4-[5-[[1-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[5-[[1-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-dimethylbenzamide
PubChem CID143517066
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC Name4-[5-[[1-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-dimethylbenzamide
SMILESCc1ccc(C2(C(=O)Nc3ccc(C)c(-c4ccc(C(=O)N(C)C)cc4)c3)CC2)cc1C
InChIInChI=1S/C28H30N2O2/c1-18-6-12-23(16-20(18)3)28(14-15-28)27(32)29-24-13-7-19(2)25(17-24)21-8-10-22(11-9-21)26(31)30(4)5/h6-13,16-17H,14-15H2,1-5H3,(H,29,32)
InChIKeyKVHURHCMXUDYKJ-UHFFFAOYSA-N
XLogP5.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]-N,N-dimethylbenzamide
CID 59207017
4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoic acid
CID 59205934
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid
CID 59206051
4-[5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid
CID 59206722
methyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoate
CID 59206350
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-ethylbenzamide
CID 59206879
4-[2-(2-amino-2-oxoethyl)-5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]-N,N-dimethylbenzamide
CID 59206016
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N-methylbenzamide
CID 59506663
1-(3,4-dihydroxyphenyl)-N-[3-[4-(hydroxymethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide
CID 71174082
1-(1,3-benzodioxol-5-yl)-N-[3-(4-hydroxyphenyl)-4-methylphenyl]cyclopropane-1-carboxamide
CID 59206865
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-propan-2-ylphenyl]-N,N-dimethylbenzamide;molecular hydrogen
CID 159486588
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-propanoylphenyl]-N,N-dimethylbenzamide;molecular hydrogen
CID 158326032

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[1-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[5-[[1-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-dimethylbenzamide (CID 143517066) is 4-[5-[[1-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[5-[[1-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[5-[[1-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-dimethylbenzamide is Cc1ccc(C2(C(=O)Nc3ccc(C)c(-c4ccc(C(=O)N(C)C)cc4)c3)CC2)cc1C.
What is the InChIKey of 4-[5-[[1-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-dimethylbenzamide?
The InChIKey is KVHURHCMXUDYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2/c1-18-6-12-23(16-20(18)3)28(14-15-28)27(32)29-24-13-7-19(2)25(17-24)21-8-10-22(11-9-21)26(31)30(4)5/h6-13,16-17H,14-15H2,1-5H3,(H,29,32).
What are the key properties of 4-[5-[[1-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-dimethylbenzamide?
4-[5-[[1-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-dimethylbenzamide has a molecular weight of 426.56 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[1-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 143517066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).