1-[(2R)-3,3-dimethylbutan-2-yl]-3-[(4-methylcyclohexyl)methyl]urea

C15H30N2O — CID 99807482

IUPAC1-[(2R)-3,3-dimethylbutan-2-yl]-3-[(4-methylcyclohexyl)methyl]urea
SMILESCC1CCC(CNC(=O)N[C@H](C)C(C)(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-11-6-8-13(9-7-11)10-16-14(18)17-12(2)15(3,4)5/h11-13H,6-10H2,1-5H3,(H2,16,17,18)/t11?,12-,13?/m1/s1
InChIKeyFRCPMOMAIRMFPC-OTTFEQOBSA-N
MW254.42 g/mol
LogP3.55
Rot. Bonds3

About 1-[(2R)-3,3-dimethylbutan-2-yl]-3-[(4-methylcyclohexyl)methyl]urea

1-[(2R)-3,3-dimethylbutan-2-yl]-3-[(4-methylcyclohexyl)methyl]urea (PubChem CID 99807482) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[(2R)-3,3-dimethylbutan-2-yl]-3-[(4-methylcyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-[(2R)-3,3-dimethylbutan-2-yl]-3-[(4-methylcyclohexyl)methyl]urea
PubChem CID99807482
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-[(2R)-3,3-dimethylbutan-2-yl]-3-[(4-methylcyclohexyl)methyl]urea
SMILESCC1CCC(CNC(=O)N[C@H](C)C(C)(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-11-6-8-13(9-7-11)10-16-14(18)17-12(2)15(3,4)5/h11-13H,6-10H2,1-5H3,(H2,16,17,18)/t11?,12-,13?/m1/s1
InChIKeyFRCPMOMAIRMFPC-OTTFEQOBSA-N
XLogP3.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3,3-dimethylbutan-2-yl]-3-[(4-methylcyclohexyl)methyl]urea?
The IUPAC name of 1-[(2R)-3,3-dimethylbutan-2-yl]-3-[(4-methylcyclohexyl)methyl]urea (CID 99807482) is 1-[(2R)-3,3-dimethylbutan-2-yl]-3-[(4-methylcyclohexyl)methyl]urea.
What is the SMILES notation for 1-[(2R)-3,3-dimethylbutan-2-yl]-3-[(4-methylcyclohexyl)methyl]urea?
The canonical SMILES for 1-[(2R)-3,3-dimethylbutan-2-yl]-3-[(4-methylcyclohexyl)methyl]urea is CC1CCC(CNC(=O)N[C@H](C)C(C)(C)C)CC1.
What is the InChIKey of 1-[(2R)-3,3-dimethylbutan-2-yl]-3-[(4-methylcyclohexyl)methyl]urea?
The InChIKey is FRCPMOMAIRMFPC-OTTFEQOBSA-N. The full InChI is InChI=1S/C15H30N2O/c1-11-6-8-13(9-7-11)10-16-14(18)17-12(2)15(3,4)5/h11-13H,6-10H2,1-5H3,(H2,16,17,18)/t11?,12-,13?/m1/s1.
What are the key properties of 1-[(2R)-3,3-dimethylbutan-2-yl]-3-[(4-methylcyclohexyl)methyl]urea?
1-[(2R)-3,3-dimethylbutan-2-yl]-3-[(4-methylcyclohexyl)methyl]urea has a molecular weight of 254.42 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3,3-dimethylbutan-2-yl]-3-[(4-methylcyclohexyl)methyl]urea is sourced from PubChem (CID 99807482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).