1-(cyclohexylmethyl)-3-[(1S,2R)-2-phenylcyclopropyl]urea

C17H24N2O — CID 44589310

IUPAC1-(cyclohexylmethyl)-3-[(1S,2R)-2-phenylcyclopropyl]urea
SMILESO=C(NCC1CCCCC1)N[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C17H24N2O/c20-17(18-12-13-7-3-1-4-8-13)19-16-11-15(16)14-9-5-2-6-10-14/h2,5-6,9-10,13,15-16H,1,3-4,7-8,11-12H2,(H2,18,19,20)/t15-,16+/m1/s1
InChIKeyNICCTCZINAGVPL-CVEARBPZSA-N
MW272.39 g/mol
LogP3.42
Rot. Bonds4

About 1-(cyclohexylmethyl)-3-[(1S,2R)-2-phenylcyclopropyl]urea

1-(cyclohexylmethyl)-3-[(1S,2R)-2-phenylcyclopropyl]urea (PubChem CID 44589310) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-[(1S,2R)-2-phenylcyclopropyl]urea.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-[(1S,2R)-2-phenylcyclopropyl]urea
PubChem CID44589310
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(cyclohexylmethyl)-3-[(1S,2R)-2-phenylcyclopropyl]urea
SMILESO=C(NCC1CCCCC1)N[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C17H24N2O/c20-17(18-12-13-7-3-1-4-8-13)19-16-11-15(16)14-9-5-2-6-10-14/h2,5-6,9-10,13,15-16H,1,3-4,7-8,11-12H2,(H2,18,19,20)/t15-,16+/m1/s1
InChIKeyNICCTCZINAGVPL-CVEARBPZSA-N
XLogP3.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-[(1S,2R)-2-phenylcyclopropyl]urea?
The IUPAC name of 1-(cyclohexylmethyl)-3-[(1S,2R)-2-phenylcyclopropyl]urea (CID 44589310) is 1-(cyclohexylmethyl)-3-[(1S,2R)-2-phenylcyclopropyl]urea.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-[(1S,2R)-2-phenylcyclopropyl]urea?
The canonical SMILES for 1-(cyclohexylmethyl)-3-[(1S,2R)-2-phenylcyclopropyl]urea is O=C(NCC1CCCCC1)N[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-[(1S,2R)-2-phenylcyclopropyl]urea?
The InChIKey is NICCTCZINAGVPL-CVEARBPZSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17(18-12-13-7-3-1-4-8-13)19-16-11-15(16)14-9-5-2-6-10-14/h2,5-6,9-10,13,15-16H,1,3-4,7-8,11-12H2,(H2,18,19,20)/t15-,16+/m1/s1.
What are the key properties of 1-(cyclohexylmethyl)-3-[(1S,2R)-2-phenylcyclopropyl]urea?
1-(cyclohexylmethyl)-3-[(1S,2R)-2-phenylcyclopropyl]urea has a molecular weight of 272.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-[(1S,2R)-2-phenylcyclopropyl]urea is sourced from PubChem (CID 44589310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).