1-[(1R)-2-hydroxy-1-phenylethyl]-3-(3-phenylpropyl)urea

C18H22N2O2 — CID 127044774

IUPAC1-[(1R)-2-hydroxy-1-phenylethyl]-3-(3-phenylpropyl)urea
SMILESC1=CC=C(C=C1)CCCNC(=O)N[C@@H](CO)C2=CC=CC=C2
InChIInChI=1S/C18H22N2O2/c21-14-17(16-11-5-2-6-12-16)20-18(22)19-13-7-10-15-8-3-1-4-9-15/h1-6,8-9,11-12,17,21H,7,10,13-14H2,(H2,19,20,22)/t17-/m0/s1
InChIKeyVTLTVIRCTHKZKH-KRWDZBQOSA-N
MW298.40 g/mol
LogP2.50
Rot. Bonds7

About 1-[(1R)-2-hydroxy-1-phenylethyl]-3-(3-phenylpropyl)urea

1-[(1R)-2-hydroxy-1-phenylethyl]-3-(3-phenylpropyl)urea (PubChem CID 127044774) has the molecular formula C18H22N2O2 and a molecular weight of 298.40 g/mol. Its IUPAC name is 1-[(1R)-2-hydroxy-1-phenylethyl]-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[(1R)-2-hydroxy-1-phenylethyl]-3-(3-phenylpropyl)urea
PubChem CID127044774
Molecular FormulaC18H22N2O2
Molecular Weight298.40 g/mol
Exact Mass298.17
IUPAC Name1-[(1R)-2-hydroxy-1-phenylethyl]-3-(3-phenylpropyl)urea
SMILESC1=CC=C(C=C1)CCCNC(=O)N[C@@H](CO)C2=CC=CC=C2
InChIInChI=1S/C18H22N2O2/c21-14-17(16-11-5-2-6-12-16)20-18(22)19-13-7-10-15-8-3-1-4-9-15/h1-6,8-9,11-12,17,21H,7,10,13-14H2,(H2,19,20,22)/t17-/m0/s1
InChIKeyVTLTVIRCTHKZKH-KRWDZBQOSA-N
XLogP2.50
TPSA61.40 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity310

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 468423
(4R,5R,6R)-Tetrahydro-5-hydroxy-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone
CID 475826
(R)-3-Phenyl-2-(benzylamino)-1-propanol
CID 10900780
1-(2-Hydroxy-1-phenylethyl)-3-{2-[3-(2-{[(2-hydroxy-1-phenylethyl)carbamoyl]amino}propan-2-yl)phenyl]propan-2-yl}urea
CID 3728663
N1,N3-Bis[(1S)-2-hydroxy-1-phenylethyl]-2,2-dimethylpropanediamide
CID 24209868
(4R,5R,6R)-1,6-dibenzyl-5-hydroxy-4-(1-hydroxy-2-phenylethyl)-1,3-diazinan-2-one
CID 5327552
(5S)-3-(2,5-difluorophenyl)-5-(hydroxymethyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide
CID 44568311
1-(4-Hydroxycyclohexyl)-3-(4-phenylbutyl)urea
CID 154665770
2-Propenamide, N-(1-(hydroxymethyl)-2-phenylethyl)-3-phenyl-, (E)-(+-)-
CID 6040514
2-(Benzylamino)-2-phenylethan-1-ol
CID 234875
Carbamic acid, N-((1R)-2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl ester
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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-hydroxy-1-phenylethyl]-3-(3-phenylpropyl)urea?
The IUPAC name of 1-[(1R)-2-hydroxy-1-phenylethyl]-3-(3-phenylpropyl)urea (CID 127044774) is 1-[(1R)-2-hydroxy-1-phenylethyl]-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-[(1R)-2-hydroxy-1-phenylethyl]-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-[(1R)-2-hydroxy-1-phenylethyl]-3-(3-phenylpropyl)urea is C1=CC=C(C=C1)CCCNC(=O)N[C@@H](CO)C2=CC=CC=C2.
What is the InChIKey of 1-[(1R)-2-hydroxy-1-phenylethyl]-3-(3-phenylpropyl)urea?
The InChIKey is VTLTVIRCTHKZKH-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-14-17(16-11-5-2-6-12-16)20-18(22)19-13-7-10-15-8-3-1-4-9-15/h1-6,8-9,11-12,17,21H,7,10,13-14H2,(H2,19,20,22)/t17-/m0/s1.
What are the key properties of 1-[(1R)-2-hydroxy-1-phenylethyl]-3-(3-phenylpropyl)urea?
1-[(1R)-2-hydroxy-1-phenylethyl]-3-(3-phenylpropyl)urea has a molecular weight of 298.40 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-hydroxy-1-phenylethyl]-3-(3-phenylpropyl)urea is sourced from PubChem (CID 127044774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).