1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea

C19H22N2O — CID 42886062

IUPAC1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NC(c1ccccc1)C1CC1
InChIInChI=1S/C19H22N2O/c22-19(20-14-13-15-7-3-1-4-8-15)21-18(17-11-12-17)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H2,20,21,22)
InChIKeyNCTCQNAQZKKAKY-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.68
Rot. Bonds6

About 1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea

1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea (PubChem CID 42886062) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea
PubChem CID42886062
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NC(c1ccccc1)C1CC1
InChIInChI=1S/C19H22N2O/c22-19(20-14-13-15-7-3-1-4-8-15)21-18(17-11-12-17)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H2,20,21,22)
InChIKeyNCTCQNAQZKKAKY-UHFFFAOYSA-N
XLogP3.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257535
1-[(S)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257538
1-[(S)-cyclopropyl(phenyl)methyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea
CID 175120316
N-benzyl-N'-[(S)-cyclopropyl(phenyl)methyl]oxamide
CID 99792859
1-(dicyclopropylmethyl)-3-(3-phenylpropyl)urea
CID 36509029
N-benzyl-N'-[(R)-cyclopropyl(phenyl)methyl]oxamide
CID 99792858
1-[(R)-cyclobutyl(phenyl)methyl]-3-(2-methylsulfonylethyl)urea
CID 95573065
1-[(S)-cyclobutyl(phenyl)methyl]-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 95310450
3-[[(R)-cyclopentyl(phenyl)methyl]carbamoylamino]-N,N-dimethylpropanamide
CID 95663638
1-[(S)-cyclopropyl(phenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 51469806
1-[cyclopropyl(phenyl)methyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892838
1-[(R)-cyclobutyl(phenyl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95318618

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea (CID 42886062) is 1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)NC(c1ccccc1)C1CC1.
What is the InChIKey of 1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea?
The InChIKey is NCTCQNAQZKKAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c22-19(20-14-13-15-7-3-1-4-8-15)21-18(17-11-12-17)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H2,20,21,22).
What are the key properties of 1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea?
1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea has a molecular weight of 294.40 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 42886062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).