1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-phenylpyrrolidin-3-yl)urea

C19H29N3O2 — CID 111722407

IUPAC1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-phenylpyrrolidin-3-yl)urea
SMILESCC1(CNC(=O)NC2CCN(c3ccccc3)C2)CCCCC1O
InChIInChI=1S/C19H29N3O2/c1-19(11-6-5-9-17(19)23)14-20-18(24)21-15-10-12-22(13-15)16-7-3-2-4-8-16/h2-4,7-8,15,17,23H,5-6,9-14H2,1H3,(H2,20,21,24)
InChIKeyHDEZIZVOHULAHL-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.51
Rot. Bonds4

About 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-phenylpyrrolidin-3-yl)urea

1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-phenylpyrrolidin-3-yl)urea (PubChem CID 111722407) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-phenylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-phenylpyrrolidin-3-yl)urea
PubChem CID111722407
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-phenylpyrrolidin-3-yl)urea
SMILESCC1(CNC(=O)NC2CCN(c3ccccc3)C2)CCCCC1O
InChIInChI=1S/C19H29N3O2/c1-19(11-6-5-9-17(19)23)14-20-18(24)21-15-10-12-22(13-15)16-7-3-2-4-8-16/h2-4,7-8,15,17,23H,5-6,9-14H2,1H3,(H2,20,21,24)
InChIKeyHDEZIZVOHULAHL-UHFFFAOYSA-N
XLogP2.51
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-phenylpyrrolidin-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 111722313
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
1-[(6-methyl-3-pyridinyl)methyl]-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
CID 95759860
2-[1-[2-oxo-2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]cyclohexyl]acetic acid
CID 119125137
N-[(3R)-1-phenylpyrrolidin-3-yl]-1-prop-2-enylcyclobutane-1-carboxamide
CID 99795131
N-(1-phenylpyrrolidin-3-yl)-1-prop-2-enylcyclobutane-1-carboxamide
CID 86819492
ethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide
CID 167597146
N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 95155812
1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea
CID 110459954
1-[(3-methyl-2-pyridinyl)methyl]-3-[(3R)-1-phenylpiperidin-3-yl]urea
CID 124563812
1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 51127812
2-[ethyl-[3-[(2-hydroxy-1-methylcyclohexyl)methylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122026326

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-phenylpyrrolidin-3-yl)urea?
The IUPAC name of 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-phenylpyrrolidin-3-yl)urea (CID 111722407) is 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-phenylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-phenylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-phenylpyrrolidin-3-yl)urea is CC1(CNC(=O)NC2CCN(c3ccccc3)C2)CCCCC1O.
What is the InChIKey of 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-phenylpyrrolidin-3-yl)urea?
The InChIKey is HDEZIZVOHULAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-19(11-6-5-9-17(19)23)14-20-18(24)21-15-10-12-22(13-15)16-7-3-2-4-8-16/h2-4,7-8,15,17,23H,5-6,9-14H2,1H3,(H2,20,21,24).
What are the key properties of 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-phenylpyrrolidin-3-yl)urea?
1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-phenylpyrrolidin-3-yl)urea has a molecular weight of 331.46 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-phenylpyrrolidin-3-yl)urea is sourced from PubChem (CID 111722407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).