1-cycloheptyl-3-(2-phenylpropan-2-yl)urea

C17H26N2O — CID 110469316

IUPAC1-cycloheptyl-3-(2-phenylpropan-2-yl)urea
SMILESCC(C)(NC(=O)NC1CCCCCC1)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-17(2,14-10-6-5-7-11-14)19-16(20)18-15-12-8-3-4-9-13-15/h5-7,10-11,15H,3-4,8-9,12-13H2,1-2H3,(H2,18,19,20)
InChIKeyILIWVPJBJNSMNP-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.94
Rot. Bonds3

About 1-cycloheptyl-3-(2-phenylpropan-2-yl)urea

1-cycloheptyl-3-(2-phenylpropan-2-yl)urea (PubChem CID 110469316) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-cycloheptyl-3-(2-phenylpropan-2-yl)urea.

Molecular Properties

Compound Name1-cycloheptyl-3-(2-phenylpropan-2-yl)urea
PubChem CID110469316
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-cycloheptyl-3-(2-phenylpropan-2-yl)urea
SMILESCC(C)(NC(=O)NC1CCCCCC1)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-17(2,14-10-6-5-7-11-14)19-16(20)18-15-12-8-3-4-9-13-15/h5-7,10-11,15H,3-4,8-9,12-13H2,1-2H3,(H2,18,19,20)
InChIKeyILIWVPJBJNSMNP-UHFFFAOYSA-N
XLogP3.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Urea, N,N'-bis(phenylmethyl)-
CID 72889
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1-Benzyl-3-cyclohexylurea
CID 544877
Urea, N,N''-1,6-hexanediylbis[N'-(phenylmethyl)-
CID 2818389
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
1-Cyclohexyl-3-(2-phenylethyl)urea
CID 742677
N-(Diphenylmethyl)urea
CID 95253
1-[4-(Dimethylamino)-4-phenylcyclohexyl]-3-(3-phenylpropyl)urea;hydrochloride
CID 69218851
1-Cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 4079580
(4R,5S)-(-)-1,5-Dimethyl-4-phenyl-2-imidazolidinone
CID 6931391
N-(tert-butyl)-N'-phenethylurea
CID 306674

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(2-phenylpropan-2-yl)urea?
The IUPAC name of 1-cycloheptyl-3-(2-phenylpropan-2-yl)urea (CID 110469316) is 1-cycloheptyl-3-(2-phenylpropan-2-yl)urea.
What is the SMILES notation for 1-cycloheptyl-3-(2-phenylpropan-2-yl)urea?
The canonical SMILES for 1-cycloheptyl-3-(2-phenylpropan-2-yl)urea is CC(C)(NC(=O)NC1CCCCCC1)c1ccccc1.
What is the InChIKey of 1-cycloheptyl-3-(2-phenylpropan-2-yl)urea?
The InChIKey is ILIWVPJBJNSMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2,14-10-6-5-7-11-14)19-16(20)18-15-12-8-3-4-9-13-15/h5-7,10-11,15H,3-4,8-9,12-13H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-cycloheptyl-3-(2-phenylpropan-2-yl)urea?
1-cycloheptyl-3-(2-phenylpropan-2-yl)urea has a molecular weight of 274.41 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(2-phenylpropan-2-yl)urea is sourced from PubChem (CID 110469316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).