1-methyl-1-(3-methylcyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea

C20H32N2O2 — CID 112835878

IUPAC1-methyl-1-(3-methylcyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea
SMILESCC1CCCC(N(C)C(=O)NC(C)c2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C20H32N2O2/c1-14(2)24-19-11-9-17(10-12-19)16(4)21-20(23)22(5)18-8-6-7-15(3)13-18/h9-12,14-16,18H,6-8,13H2,1-5H3,(H,21,23)
InChIKeyRBKUSGFJOVQZKP-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.75
Rot. Bonds5

About 1-methyl-1-(3-methylcyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea

1-methyl-1-(3-methylcyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea (PubChem CID 112835878) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-methyl-1-(3-methylcyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-1-(3-methylcyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea
PubChem CID112835878
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name1-methyl-1-(3-methylcyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea
SMILESCC1CCCC(N(C)C(=O)NC(C)c2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C20H32N2O2/c1-14(2)24-19-11-9-17(10-12-19)16(4)21-20(23)22(5)18-8-6-7-15(3)13-18/h9-12,14-16,18H,6-8,13H2,1-5H3,(H,21,23)
InChIKeyRBKUSGFJOVQZKP-UHFFFAOYSA-N
XLogP4.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-1-(4-methylcyclohexyl)-3-(1-pyridin-4-ylethyl)urea
CID 86999651
1-cyclohexyl-3-[1-(4-hydroxyphenoxy)ethyl]-1-methylurea
CID 108870951
1-(2-hydroxycyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea
CID 110933256
2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 43699540
2-(4-methoxyphenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134060669
2-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979010
5-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]hexanoic acid
CID 82848247
4-hydroxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 43699561
2-amino-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 61264808
2-methoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopentan-1-amine
CID 62087299
1-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119716690
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[(1S)-1-(4-fluorophenyl)ethyl]-1-methylurea
CID 94180332

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(3-methylcyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea?
The IUPAC name of 1-methyl-1-(3-methylcyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea (CID 112835878) is 1-methyl-1-(3-methylcyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea.
What is the SMILES notation for 1-methyl-1-(3-methylcyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea?
The canonical SMILES for 1-methyl-1-(3-methylcyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea is CC1CCCC(N(C)C(=O)NC(C)c2ccc(OC(C)C)cc2)C1.
What is the InChIKey of 1-methyl-1-(3-methylcyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea?
The InChIKey is RBKUSGFJOVQZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-14(2)24-19-11-9-17(10-12-19)16(4)21-20(23)22(5)18-8-6-7-15(3)13-18/h9-12,14-16,18H,6-8,13H2,1-5H3,(H,21,23).
What are the key properties of 1-methyl-1-(3-methylcyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea?
1-methyl-1-(3-methylcyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea has a molecular weight of 332.49 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(3-methylcyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea is sourced from PubChem (CID 112835878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).