2-[[2-[(4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylate

C24H27N2O4- — CID 78429348

IUPAC2-[[2-[(4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylate
SMILESCC(C)c1ccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2C(=O)[O-])cc1
InChIInChI=1S/C24H28N2O4/c1-15(2)16-11-13-17(14-12-16)25-23(28)20-9-5-6-10-21(20)26-22(27)18-7-3-4-8-19(18)24(29)30/h5-6,9-15,18-19H,3-4,7-8H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)/p-1
InChIKeyKYYCBOGDJGRCEP-UHFFFAOYSA-M
MW407.49 g/mol
LogP3.56
Rot. Bonds6

About 2-[[2-[(4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylate

2-[[2-[(4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylate (PubChem CID 78429348) has the molecular formula C24H27N2O4- and a molecular weight of 407.49 g/mol. Its IUPAC name is 2-[[2-[(4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-[[2-[(4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylate
PubChem CID78429348
Molecular FormulaC24H27N2O4-
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name2-[[2-[(4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylate
SMILESCC(C)c1ccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2C(=O)[O-])cc1
InChIInChI=1S/C24H28N2O4/c1-15(2)16-11-13-17(14-12-16)25-23(28)20-9-5-6-10-21(20)26-22(27)18-7-3-4-8-19(18)24(29)30/h5-6,9-15,18-19H,3-4,7-8H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)/p-1
InChIKeyKYYCBOGDJGRCEP-UHFFFAOYSA-M
XLogP3.56
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylate with MolForge

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Related Compounds

2-[[2-[(4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 11842149
(1R,6R)-6-[[2-[(4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6958236
2-[[(1R,2S)-2-carboxylatocyclohexanecarbonyl]amino]benzoate
CID 6940402
cis-(1R,2S)-2-[(2-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6920114
cis-(1R,2S)-2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 982067
2-hydrazinyl-N-(4-propan-2-ylphenyl)benzamide
CID 62235993
methyl 2-[[2-[(4-propan-2-ylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142383
trans-(1R,2R)-2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6937463
2-(ethylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 62171900
trans-(1R,2R)-2-[(2-bromophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 7429966
cis-(1R,2S)-2-[[2-[(3-chlorophenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 982056
(1S,6S)-6-[[2-[(3-chlorophenyl)carbamoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6958335

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylate?
The IUPAC name of 2-[[2-[(4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylate (CID 78429348) is 2-[[2-[(4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylate.
What is the SMILES notation for 2-[[2-[(4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylate?
The canonical SMILES for 2-[[2-[(4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylate is CC(C)c1ccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2C(=O)[O-])cc1.
What is the InChIKey of 2-[[2-[(4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylate?
The InChIKey is KYYCBOGDJGRCEP-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H28N2O4/c1-15(2)16-11-13-17(14-12-16)25-23(28)20-9-5-6-10-21(20)26-22(27)18-7-3-4-8-19(18)24(29)30/h5-6,9-15,18-19H,3-4,7-8H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)/p-1.
What are the key properties of 2-[[2-[(4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylate?
2-[[2-[(4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylate has a molecular weight of 407.49 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 78429348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).