1-cyclohexyl-3-[(3R)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]urea

C15H25N3O2 — CID 99998094

IUPAC1-cyclohexyl-3-[(3R)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]urea
SMILESCn1cccc1[C@H](O)CCNC(=O)NC1CCCCC1
InChIInChI=1S/C15H25N3O2/c1-18-11-5-8-13(18)14(19)9-10-16-15(20)17-12-6-3-2-4-7-12/h5,8,11-12,14,19H,2-4,6-7,9-10H2,1H3,(H2,16,17,20)/t14-/m1/s1
InChIKeyVQDOPPZMUDXYIR-CQSZACIVSA-N
MW279.38 g/mol
LogP2.08
Rot. Bonds5

About 1-cyclohexyl-3-[(3R)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]urea

1-cyclohexyl-3-[(3R)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]urea (PubChem CID 99998094) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(3R)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(3R)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]urea
PubChem CID99998094
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-cyclohexyl-3-[(3R)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]urea
SMILESCn1cccc1[C@H](O)CCNC(=O)NC1CCCCC1
InChIInChI=1S/C15H25N3O2/c1-18-11-5-8-13(18)14(19)9-10-16-15(20)17-12-6-3-2-4-7-12/h5,8,11-12,14,19H,2-4,6-7,9-10H2,1H3,(H2,16,17,20)/t14-/m1/s1
InChIKeyVQDOPPZMUDXYIR-CQSZACIVSA-N
XLogP2.08
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cycloheptyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 90496370
1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]urea
CID 51894409
1-(3-amino-3-phenylpropyl)-3-cyclohexylurea
CID 80506800
1-cyclopentyl-3-(3-hydroxybutyl)urea
CID 78964917
1-cyclohexyl-3-(2-pyrrol-1-ylethyl)urea
CID 110747679
1-cyclohexyl-3-(5-hydroxy-3-phenylpentyl)urea
CID 121112417
N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-3-phenylsulfanylpropanamide
CID 86266724
1-(1,3-benzodioxol-5-yl)-3-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]urea
CID 99998137
1-cyclopentyl-3-[2-(2,5-dimethylpyrrol-1-yl)ethyl]urea
CID 110747697
N'-cyclohexyl-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 29344076
1-(3-aminobutyl)-3-cyclohexylurea
CID 63253951
1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(oxan-4-yl)urea
CID 100676156

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(3R)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(3R)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]urea (CID 99998094) is 1-cyclohexyl-3-[(3R)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(3R)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(3R)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]urea is Cn1cccc1[C@H](O)CCNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(3R)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]urea?
The InChIKey is VQDOPPZMUDXYIR-CQSZACIVSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-18-11-5-8-13(18)14(19)9-10-16-15(20)17-12-6-3-2-4-7-12/h5,8,11-12,14,19H,2-4,6-7,9-10H2,1H3,(H2,16,17,20)/t14-/m1/s1.
What are the key properties of 1-cyclohexyl-3-[(3R)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]urea?
1-cyclohexyl-3-[(3R)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]urea has a molecular weight of 279.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(3R)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]urea is sourced from PubChem (CID 99998094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).