3-[(4-ethylcyclohexyl)methyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea

C17H33N3O — CID 75369748

IUPAC3-[(4-ethylcyclohexyl)methyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
SMILESCCC1CCC(CNC(=O)N(C)CC2CCN(C)C2)CC1
InChIInChI=1S/C17H33N3O/c1-4-14-5-7-15(8-6-14)11-18-17(21)20(3)13-16-9-10-19(2)12-16/h14-16H,4-13H2,1-3H3,(H,18,21)
InChIKeyOHPXECZGUNJMPK-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.80
Rot. Bonds5

About 3-[(4-ethylcyclohexyl)methyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea

3-[(4-ethylcyclohexyl)methyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea (PubChem CID 75369748) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-[(4-ethylcyclohexyl)methyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea.

Molecular Properties

Compound Name3-[(4-ethylcyclohexyl)methyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
PubChem CID75369748
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name3-[(4-ethylcyclohexyl)methyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
SMILESCCC1CCC(CNC(=O)N(C)CC2CCN(C)C2)CC1
InChIInChI=1S/C17H33N3O/c1-4-14-5-7-15(8-6-14)11-18-17(21)20(3)13-16-9-10-19(2)12-16/h14-16H,4-13H2,1-3H3,(H,18,21)
InChIKeyOHPXECZGUNJMPK-UHFFFAOYSA-N
XLogP2.80
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate
CID 115612489
3-[(4-ethylcyclohexyl)methyl]-1,1-dimethylurea
CID 115590479
3-[[[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]amino]methyl]pentanoic acid
CID 81069894
3-cyclopentyl-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 115613492
1-methyl-3-[[(1S,3R)-3-methylcyclohexyl]methyl]-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 95572797
1,3-bis(cyclopentylmethyl)-1-methylurea
CID 71882536
2-chloro-N-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]acetamide
CID 63275498
(2S,3S)-3-methyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]amino]pentanoic acid
CID 63275285
(2S)-3-methyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]amino]pentanoic acid
CID 63275109
N-methyl-2-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 63274011
1-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 113231769
3-amino-1-methyl-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 115192849

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylcyclohexyl)methyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea?
The IUPAC name of 3-[(4-ethylcyclohexyl)methyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea (CID 75369748) is 3-[(4-ethylcyclohexyl)methyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea.
What is the SMILES notation for 3-[(4-ethylcyclohexyl)methyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea?
The canonical SMILES for 3-[(4-ethylcyclohexyl)methyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea is CCC1CCC(CNC(=O)N(C)CC2CCN(C)C2)CC1.
What is the InChIKey of 3-[(4-ethylcyclohexyl)methyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea?
The InChIKey is OHPXECZGUNJMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-4-14-5-7-15(8-6-14)11-18-17(21)20(3)13-16-9-10-19(2)12-16/h14-16H,4-13H2,1-3H3,(H,18,21).
What are the key properties of 3-[(4-ethylcyclohexyl)methyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea?
3-[(4-ethylcyclohexyl)methyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea has a molecular weight of 295.47 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylcyclohexyl)methyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea is sourced from PubChem (CID 75369748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).