1-cyclohexyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea

C17H27N3O — CID 110641769

IUPAC1-cyclohexyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea
SMILESCc1cc(CNC(=O)NC2CCCCC2)c(C)n1C1CC1
InChIInChI=1S/C17H27N3O/c1-12-10-14(13(2)20(12)16-8-9-16)11-18-17(21)19-15-6-4-3-5-7-15/h10,15-16H,3-9,11H2,1-2H3,(H2,18,19,21)
InChIKeyOISZPPIHCMMCPW-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.57
Rot. Bonds4

About 1-cyclohexyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea

1-cyclohexyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea (PubChem CID 110641769) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea
PubChem CID110641769
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-cyclohexyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea
SMILESCc1cc(CNC(=O)NC2CCCCC2)c(C)n1C1CC1
InChIInChI=1S/C17H27N3O/c1-12-10-14(13(2)20(12)16-8-9-16)11-18-17(21)19-15-6-4-3-5-7-15/h10,15-16H,3-9,11H2,1-2H3,(H2,18,19,21)
InChIKeyOISZPPIHCMMCPW-UHFFFAOYSA-N
XLogP3.57
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea
CID 110775535
1-cyclohexyl-3-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]urea
CID 110642175
1-(4-chlorophenyl)-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea
CID 110416084
methyl 4-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methylamino]-4-oxobutanoate
CID 110786306
N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110416090
1-cyclopentyl-3-[(2,4-dimethylphenyl)methyl]urea
CID 47322167
1-cyclopentyl-3-[(2-methoxy-4,5-dimethylphenyl)methyl]urea
CID 110774921
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methylpropanamide
CID 110641674
1-cyclohexyl-3-[(3-methyl-4-pyridinyl)methyl]urea
CID 114699395
1-cyclohexyl-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110324549
1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea
CID 115887050
N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110641784

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea (CID 110641769) is 1-cyclohexyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea is Cc1cc(CNC(=O)NC2CCCCC2)c(C)n1C1CC1.
What is the InChIKey of 1-cyclohexyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea?
The InChIKey is OISZPPIHCMMCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12-10-14(13(2)20(12)16-8-9-16)11-18-17(21)19-15-6-4-3-5-7-15/h10,15-16H,3-9,11H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-cyclohexyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea?
1-cyclohexyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea has a molecular weight of 289.42 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea is sourced from PubChem (CID 110641769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).