1-(cyclopentylmethyl)-3-[(1S,2R)-2-ethylcyclohexyl]-1-methylurea

C16H30N2O — CID 99786912

IUPAC1-(cyclopentylmethyl)-3-[(1S,2R)-2-ethylcyclohexyl]-1-methylurea
SMILESCC[C@@H]1CCCC[C@@H]1NC(=O)N(C)CC1CCCC1
InChIInChI=1S/C16H30N2O/c1-3-14-10-6-7-11-15(14)17-16(19)18(2)12-13-8-4-5-9-13/h13-15H,3-12H2,1-2H3,(H,17,19)/t14-,15+/m1/s1
InChIKeyUAPRKBALIAJFSB-CABCVRRESA-N
MW266.43 g/mol
LogP3.79
Rot. Bonds4

About 1-(cyclopentylmethyl)-3-[(1S,2R)-2-ethylcyclohexyl]-1-methylurea

1-(cyclopentylmethyl)-3-[(1S,2R)-2-ethylcyclohexyl]-1-methylurea (PubChem CID 99786912) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-3-[(1S,2R)-2-ethylcyclohexyl]-1-methylurea.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-3-[(1S,2R)-2-ethylcyclohexyl]-1-methylurea
PubChem CID99786912
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(cyclopentylmethyl)-3-[(1S,2R)-2-ethylcyclohexyl]-1-methylurea
SMILESCC[C@@H]1CCCC[C@@H]1NC(=O)N(C)CC1CCCC1
InChIInChI=1S/C16H30N2O/c1-3-14-10-6-7-11-15(14)17-16(19)18(2)12-13-8-4-5-9-13/h13-15H,3-12H2,1-2H3,(H,17,19)/t14-,15+/m1/s1
InChIKeyUAPRKBALIAJFSB-CABCVRRESA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea
CID 115597933
N-[(1S,2R)-2-ethylcyclohexyl]acetamide
CID 162400753
N-[(1S,2S)-2-ethylcycloheptyl]acetamide
CID 668218
cis-(1R,3S)-3-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319422
1,3-bis(cyclopentylmethyl)-1-methylurea
CID 71882536
1-(cyclohexylmethyl)-1-methyl-3-propylurea
CID 115583089
N-(2-ethylcyclopentyl)acetamide
CID 130891213
3-[(1R,2S)-2-butylcyclopentyl]-1-ethyl-1-methylurea
CID 95338254
1-(cyclohexylmethyl)-1-methyl-3-(3-methylcyclohexyl)urea
CID 112837928
1-[(2-hydroxycyclopentyl)methyl]-3-(2-methoxycycloheptyl)-1-methylurea
CID 75432538
3-(3-aminocyclohexyl)-N-(2-ethylcyclohexyl)propanamide
CID 80701611
1-amino-N-(2-ethylcyclohexyl)cyclopropane-1-carboxamide
CID 65464011

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-3-[(1S,2R)-2-ethylcyclohexyl]-1-methylurea?
The IUPAC name of 1-(cyclopentylmethyl)-3-[(1S,2R)-2-ethylcyclohexyl]-1-methylurea (CID 99786912) is 1-(cyclopentylmethyl)-3-[(1S,2R)-2-ethylcyclohexyl]-1-methylurea.
What is the SMILES notation for 1-(cyclopentylmethyl)-3-[(1S,2R)-2-ethylcyclohexyl]-1-methylurea?
The canonical SMILES for 1-(cyclopentylmethyl)-3-[(1S,2R)-2-ethylcyclohexyl]-1-methylurea is CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)CC1CCCC1.
What is the InChIKey of 1-(cyclopentylmethyl)-3-[(1S,2R)-2-ethylcyclohexyl]-1-methylurea?
The InChIKey is UAPRKBALIAJFSB-CABCVRRESA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-14-10-6-7-11-15(14)17-16(19)18(2)12-13-8-4-5-9-13/h13-15H,3-12H2,1-2H3,(H,17,19)/t14-,15+/m1/s1.
What are the key properties of 1-(cyclopentylmethyl)-3-[(1S,2R)-2-ethylcyclohexyl]-1-methylurea?
1-(cyclopentylmethyl)-3-[(1S,2R)-2-ethylcyclohexyl]-1-methylurea has a molecular weight of 266.43 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-3-[(1S,2R)-2-ethylcyclohexyl]-1-methylurea is sourced from PubChem (CID 99786912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).