1-cyclohexyl-3-[3-[[cyclohexyl(propan-2-yl)carbamoyl]amino]-4-methylphenyl]-1-propan-2-ylurea

C27H44N4O2 — CID 5062915

IUPAC1-cyclohexyl-3-[3-[[cyclohexyl(propan-2-yl)carbamoyl]amino]-4-methylphenyl]-1-propan-2-ylurea
SMILESCc1ccc(NC(=O)N(C(C)C)C2CCCCC2)cc1NC(=O)N(C(C)C)C1CCCCC1
InChIInChI=1S/C27H44N4O2/c1-19(2)30(23-12-8-6-9-13-23)26(32)28-22-17-16-21(5)25(18-22)29-27(33)31(20(3)4)24-14-10-7-11-15-24/h16-20,23-24H,6-15H2,1-5H3,(H,28,32)(H,29,33)
InChIKeyYDMIZADBQYVLIT-UHFFFAOYSA-N
MW456.68 g/mol
LogP7.15
Rot. Bonds6

About 1-cyclohexyl-3-[3-[[cyclohexyl(propan-2-yl)carbamoyl]amino]-4-methylphenyl]-1-propan-2-ylurea

1-cyclohexyl-3-[3-[[cyclohexyl(propan-2-yl)carbamoyl]amino]-4-methylphenyl]-1-propan-2-ylurea (PubChem CID 5062915) has the molecular formula C27H44N4O2 and a molecular weight of 456.68 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-[[cyclohexyl(propan-2-yl)carbamoyl]amino]-4-methylphenyl]-1-propan-2-ylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-[[cyclohexyl(propan-2-yl)carbamoyl]amino]-4-methylphenyl]-1-propan-2-ylurea
PubChem CID5062915
Molecular FormulaC27H44N4O2
Molecular Weight456.68 g/mol
Exact Mass456.35
IUPAC Name1-cyclohexyl-3-[3-[[cyclohexyl(propan-2-yl)carbamoyl]amino]-4-methylphenyl]-1-propan-2-ylurea
SMILESCc1ccc(NC(=O)N(C(C)C)C2CCCCC2)cc1NC(=O)N(C(C)C)C1CCCCC1
InChIInChI=1S/C27H44N4O2/c1-19(2)30(23-12-8-6-9-13-23)26(32)28-22-17-16-21(5)25(18-22)29-27(33)31(20(3)4)24-14-10-7-11-15-24/h16-20,23-24H,6-15H2,1-5H3,(H,28,32)(H,29,33)
InChIKeyYDMIZADBQYVLIT-UHFFFAOYSA-N
XLogP7.15
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.68
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-3-[3-[[cyclohexyl(propan-2-yl)carbamoyl]amino]-4-methylphenyl]-1-propan-2-ylurea with MolForge

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Related Compounds

1-cyclopropyl-3-[3-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylphenyl]-1-methylurea
CID 47053336
1-cyclohexyl-3-(3,4-dimethylphenyl)-1-(1-pyridin-2-ylethyl)urea
CID 3445678
1-cyclohexyl-3-(3,4-dimethylphenyl)-1-(1-pyridin-1-ium-3-ylethyl)urea
CID 5169274
(1S,6R)-N-[3-[[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 1113205
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
(1S,6S)-N-[3-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 98092900
N-cyclopentyl-2-[[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylphenyl]carbamoylamino]propanamide
CID 47075790
1-cyclopropyl-3-(2,5-dimethylphenyl)-1-(2-methylpropyl)urea
CID 47031749
3-[[cyclopentyl(methyl)carbamoyl]amino]-4-methylbenzoic acid
CID 61194333
N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]cycloheptanecarboxamide
CID 131911889
1,1-dicyclohexyl-3-(4-propan-2-ylphenyl)urea
CID 4171224
1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea
CID 5051501

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-[[cyclohexyl(propan-2-yl)carbamoyl]amino]-4-methylphenyl]-1-propan-2-ylurea?
The IUPAC name of 1-cyclohexyl-3-[3-[[cyclohexyl(propan-2-yl)carbamoyl]amino]-4-methylphenyl]-1-propan-2-ylurea (CID 5062915) is 1-cyclohexyl-3-[3-[[cyclohexyl(propan-2-yl)carbamoyl]amino]-4-methylphenyl]-1-propan-2-ylurea.
What is the SMILES notation for 1-cyclohexyl-3-[3-[[cyclohexyl(propan-2-yl)carbamoyl]amino]-4-methylphenyl]-1-propan-2-ylurea?
The canonical SMILES for 1-cyclohexyl-3-[3-[[cyclohexyl(propan-2-yl)carbamoyl]amino]-4-methylphenyl]-1-propan-2-ylurea is Cc1ccc(NC(=O)N(C(C)C)C2CCCCC2)cc1NC(=O)N(C(C)C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[3-[[cyclohexyl(propan-2-yl)carbamoyl]amino]-4-methylphenyl]-1-propan-2-ylurea?
The InChIKey is YDMIZADBQYVLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44N4O2/c1-19(2)30(23-12-8-6-9-13-23)26(32)28-22-17-16-21(5)25(18-22)29-27(33)31(20(3)4)24-14-10-7-11-15-24/h16-20,23-24H,6-15H2,1-5H3,(H,28,32)(H,29,33).
What are the key properties of 1-cyclohexyl-3-[3-[[cyclohexyl(propan-2-yl)carbamoyl]amino]-4-methylphenyl]-1-propan-2-ylurea?
1-cyclohexyl-3-[3-[[cyclohexyl(propan-2-yl)carbamoyl]amino]-4-methylphenyl]-1-propan-2-ylurea has a molecular weight of 456.68 g/mol, XLogP of 7.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3-[[cyclohexyl(propan-2-yl)carbamoyl]amino]-4-methylphenyl]-1-propan-2-ylurea is sourced from PubChem (CID 5062915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).