1-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-[(1R,2S)-2-propan-2-ylcyclohexyl]urea

C17H33N3O — CID 95977894

IUPAC1-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-[(1R,2S)-2-propan-2-ylcyclohexyl]urea
SMILESCC(C)[C@@H]1CCCC[C@H]1NC(=O)N(C)C[C@@H]1CCN(C)C1
InChIInChI=1S/C17H33N3O/c1-13(2)15-7-5-6-8-16(15)18-17(21)20(4)12-14-9-10-19(3)11-14/h13-16H,5-12H2,1-4H3,(H,18,21)/t14-,15+,16-/m1/s1
InChIKeyFKMNKGLAXVPNMQ-OWCLPIDISA-N
MW295.47 g/mol
LogP2.79
Rot. Bonds4

About 1-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-[(1R,2S)-2-propan-2-ylcyclohexyl]urea

1-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-[(1R,2S)-2-propan-2-ylcyclohexyl]urea (PubChem CID 95977894) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-[(1R,2S)-2-propan-2-ylcyclohexyl]urea.

Molecular Properties

Compound Name1-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-[(1R,2S)-2-propan-2-ylcyclohexyl]urea
PubChem CID95977894
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name1-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-[(1R,2S)-2-propan-2-ylcyclohexyl]urea
SMILESCC(C)[C@@H]1CCCC[C@H]1NC(=O)N(C)C[C@@H]1CCN(C)C1
InChIInChI=1S/C17H33N3O/c1-13(2)15-7-5-6-8-16(15)18-17(21)20(4)12-14-9-10-19(3)11-14/h13-16H,5-12H2,1-4H3,(H,18,21)/t14-,15+,16-/m1/s1
InChIKeyFKMNKGLAXVPNMQ-OWCLPIDISA-N
XLogP2.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-[(1R,2S)-2-propan-2-ylcyclohexyl]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-methyl-1-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-[(1R,2S)-2-propan-2-ylcyclohexyl]urea
CID 124865822
3-cyclopentyl-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 115613492
(2R)-2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 78928409
2-chloro-N-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]acetamide
CID 63275498
methyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate
CID 115612489
1-methyl-1-[[(3S)-1-methylpiperidin-3-yl]methyl]-3-[(2S,3R)-2-phenyloxolan-3-yl]urea
CID 124725807
(2S)-3-methyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]amino]pentanoic acid
CID 63275109
(2S,3S)-3-methyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]amino]pentanoic acid
CID 63275285
(2S)-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]amino]pentanedioic acid
CID 63274978
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]butanoic acid
CID 115186041
3-[(4-ethylcyclohexyl)methyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 75369748
N-methyl-2-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 63274011

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-[(1R,2S)-2-propan-2-ylcyclohexyl]urea?
The IUPAC name of 1-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-[(1R,2S)-2-propan-2-ylcyclohexyl]urea (CID 95977894) is 1-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-[(1R,2S)-2-propan-2-ylcyclohexyl]urea.
What is the SMILES notation for 1-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-[(1R,2S)-2-propan-2-ylcyclohexyl]urea?
The canonical SMILES for 1-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-[(1R,2S)-2-propan-2-ylcyclohexyl]urea is CC(C)[C@@H]1CCCC[C@H]1NC(=O)N(C)C[C@@H]1CCN(C)C1.
What is the InChIKey of 1-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-[(1R,2S)-2-propan-2-ylcyclohexyl]urea?
The InChIKey is FKMNKGLAXVPNMQ-OWCLPIDISA-N. The full InChI is InChI=1S/C17H33N3O/c1-13(2)15-7-5-6-8-16(15)18-17(21)20(4)12-14-9-10-19(3)11-14/h13-16H,5-12H2,1-4H3,(H,18,21)/t14-,15+,16-/m1/s1.
What are the key properties of 1-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-[(1R,2S)-2-propan-2-ylcyclohexyl]urea?
1-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-[(1R,2S)-2-propan-2-ylcyclohexyl]urea has a molecular weight of 295.47 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-[(1R,2S)-2-propan-2-ylcyclohexyl]urea is sourced from PubChem (CID 95977894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).