3-cyclohexyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-propan-2-ylurea

C23H33N3O — CID 5214315

IUPAC3-cyclohexyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-propan-2-ylurea
SMILESCc1cccc(Cn2cccc2CN(C(=O)NC2CCCCC2)C(C)C)c1
InChIInChI=1S/C23H33N3O/c1-18(2)26(23(27)24-21-11-5-4-6-12-21)17-22-13-8-14-25(22)16-20-10-7-9-19(3)15-20/h7-10,13-15,18,21H,4-6,11-12,16-17H2,1-3H3,(H,24,27)
InChIKeySRLMIMCANOHPID-UHFFFAOYSA-N
MW367.54 g/mol
LogP5.10
Rot. Bonds6

About 3-cyclohexyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-propan-2-ylurea

3-cyclohexyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-propan-2-ylurea (PubChem CID 5214315) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 3-cyclohexyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-propan-2-ylurea.

Molecular Properties

Compound Name3-cyclohexyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-propan-2-ylurea
PubChem CID5214315
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name3-cyclohexyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-propan-2-ylurea
SMILESCc1cccc(Cn2cccc2CN(C(=O)NC2CCCCC2)C(C)C)c1
InChIInChI=1S/C23H33N3O/c1-18(2)26(23(27)24-21-11-5-4-6-12-21)17-22-13-8-14-25(22)16-20-10-7-9-19(3)15-20/h7-10,13-15,18,21H,4-6,11-12,16-17H2,1-3H3,(H,24,27)
InChIKeySRLMIMCANOHPID-UHFFFAOYSA-N
XLogP5.10
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.54
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-cyclohexyl-1-(2-methylpropyl)urea
CID 3429488
ethyl 2-[[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl-propan-2-ylcarbamoyl]amino]acetate
CID 3297268
N-(3-methylbutan-2-yl)-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanecarboxamide
CID 4221110
3-(4-methoxyphenyl)-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-propan-2-ylurea
CID 3629424
N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-phenyl-N-propan-2-ylpropanamide
CID 4567945
3-(2-bromophenyl)-1-cyclohexyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 42663078
4-tert-butyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 3453162
N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide
CID 42759810
3-(2,6-dimethylphenyl)-1-[(2R)-3-methylbutan-2-yl]-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 7495106
(3R)-3,5,5-trimethyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylhexanamide
CID 7499485
N-cyclohexyl-4-ethyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 4552886
1-cyclohexyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 42762818

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-propan-2-ylurea?
The IUPAC name of 3-cyclohexyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-propan-2-ylurea (CID 5214315) is 3-cyclohexyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-propan-2-ylurea.
What is the SMILES notation for 3-cyclohexyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-propan-2-ylurea?
The canonical SMILES for 3-cyclohexyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-propan-2-ylurea is Cc1cccc(Cn2cccc2CN(C(=O)NC2CCCCC2)C(C)C)c1.
What is the InChIKey of 3-cyclohexyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-propan-2-ylurea?
The InChIKey is SRLMIMCANOHPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-18(2)26(23(27)24-21-11-5-4-6-12-21)17-22-13-8-14-25(22)16-20-10-7-9-19(3)15-20/h7-10,13-15,18,21H,4-6,11-12,16-17H2,1-3H3,(H,24,27).
What are the key properties of 3-cyclohexyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-propan-2-ylurea?
3-cyclohexyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-propan-2-ylurea has a molecular weight of 367.54 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-propan-2-ylurea is sourced from PubChem (CID 5214315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).