1-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-phenylurea

C15H22N2O3 — CID 99997106

IUPAC1-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-phenylurea
SMILESO=C(NCC[C@@H](O)C1CCOCC1)Nc1ccccc1
InChIInChI=1S/C15H22N2O3/c18-14(12-7-10-20-11-8-12)6-9-16-15(19)17-13-4-2-1-3-5-13/h1-5,12,14,18H,6-11H2,(H2,16,17,19)/t14-/m1/s1
InChIKeyKQKBWRIVMKUHMK-CQSZACIVSA-N
MW278.35 g/mol
LogP1.99
Rot. Bonds5

About 1-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-phenylurea

1-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-phenylurea (PubChem CID 99997106) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-phenylurea
PubChem CID99997106
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-phenylurea
SMILESO=C(NCC[C@@H](O)C1CCOCC1)Nc1ccccc1
InChIInChI=1S/C15H22N2O3/c18-14(12-7-10-20-11-8-12)6-9-16-15(19)17-13-4-2-1-3-5-13/h1-5,12,14,18H,6-11H2,(H2,16,17,19)/t14-/m1/s1
InChIKeyKQKBWRIVMKUHMK-CQSZACIVSA-N
XLogP1.99
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenylbutanamide
CID 99996591
1-(3-cyclopropyl-3-hydroxypropyl)-3-(4-fluorophenyl)urea
CID 71787548
(2R)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenoxypropanamide
CID 99996598
1-(3-cyclopropyl-3-hydroxypropyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 71787561
1-cyclohexyl-3-[3-hydroxy-3-(oxan-4-yl)propyl]urea
CID 86266687
1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(oxan-4-yl)urea
CID 100676156
1-(3-hydroxy-4-methoxybutyl)-3-phenylurea
CID 103875503
2-bromo-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]benzenesulfonamide
CID 99997005
N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methylthiophene-2-carboxamide
CID 99996481
2-(oxan-4-yl)-N-phenylacetamide
CID 110856528
N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 99996832
2-amino-N-(3,3-diphenylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783183

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-phenylurea?
The IUPAC name of 1-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-phenylurea (CID 99997106) is 1-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-phenylurea.
What is the SMILES notation for 1-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-phenylurea?
The canonical SMILES for 1-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-phenylurea is O=C(NCC[C@@H](O)C1CCOCC1)Nc1ccccc1.
What is the InChIKey of 1-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-phenylurea?
The InChIKey is KQKBWRIVMKUHMK-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-14(12-7-10-20-11-8-12)6-9-16-15(19)17-13-4-2-1-3-5-13/h1-5,12,14,18H,6-11H2,(H2,16,17,19)/t14-/m1/s1.
What are the key properties of 1-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-phenylurea?
1-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-phenylurea has a molecular weight of 278.35 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-phenylurea is sourced from PubChem (CID 99997106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).