1-[cyclopropyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea

C17H24N2O3 — CID 110936515

IUPAC1-[cyclopropyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
SMILESO=C(NCC1(O)CCOCC1)NC(c1ccccc1)C1CC1
InChIInChI=1S/C17H24N2O3/c20-16(18-12-17(21)8-10-22-11-9-17)19-15(14-6-7-14)13-4-2-1-3-5-13/h1-5,14-15,21H,6-12H2,(H2,18,19,20)
InChIKeyPPQQJDFYUIJBPO-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.98
Rot. Bonds5

About 1-[cyclopropyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea

1-[cyclopropyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea (PubChem CID 110936515) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[cyclopropyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[cyclopropyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
PubChem CID110936515
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[cyclopropyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
SMILESO=C(NCC1(O)CCOCC1)NC(c1ccccc1)C1CC1
InChIInChI=1S/C17H24N2O3/c20-16(18-12-17(21)8-10-22-11-9-17)19-15(14-6-7-14)13-4-2-1-3-5-13/h1-5,14-15,21H,6-12H2,(H2,18,19,20)
InChIKeyPPQQJDFYUIJBPO-UHFFFAOYSA-N
XLogP1.98
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[cyclopropyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(S)-cyclohexyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 95572794
1-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea
CID 110936500
1-(1-cyclopentyl-2-phenylethyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 111108863
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111109592
1-benzhydryl-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129357143
(2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 81130040
1-[cyclobutyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438682
1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea
CID 42886062
1-[(S)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257538
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257535
1-[(S)-cyclopropyl(phenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 51469806
1-[cyclopropyl(phenyl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55590697

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea?
The IUPAC name of 1-[cyclopropyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea (CID 110936515) is 1-[cyclopropyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea.
What is the SMILES notation for 1-[cyclopropyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea?
The canonical SMILES for 1-[cyclopropyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea is O=C(NCC1(O)CCOCC1)NC(c1ccccc1)C1CC1.
What is the InChIKey of 1-[cyclopropyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea?
The InChIKey is PPQQJDFYUIJBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-16(18-12-17(21)8-10-22-11-9-17)19-15(14-6-7-14)13-4-2-1-3-5-13/h1-5,14-15,21H,6-12H2,(H2,18,19,20).
What are the key properties of 1-[cyclopropyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea?
1-[cyclopropyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea has a molecular weight of 304.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea is sourced from PubChem (CID 110936515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).