1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(2-phenoxyethyl)urea

C15H22N2O3 — CID 95986154

IUPAC1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(2-phenoxyethyl)urea
SMILESC[C@@](O)(CNC(=O)NCCOc1ccccc1)C1CC1
InChIInChI=1S/C15H22N2O3/c1-15(19,12-7-8-12)11-17-14(18)16-9-10-20-13-5-3-2-4-6-13/h2-6,12,19H,7-11H2,1H3,(H2,16,17,18)/t15-/m1/s1
InChIKeyPJWREWPSFSVUDU-OAHLLOKOSA-N
MW278.35 g/mol
LogP1.53
Rot. Bonds7

About 1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(2-phenoxyethyl)urea

1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(2-phenoxyethyl)urea (PubChem CID 95986154) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(2-phenoxyethyl)urea.

Molecular Properties

Compound Name1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(2-phenoxyethyl)urea
PubChem CID95986154
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(2-phenoxyethyl)urea
SMILESC[C@@](O)(CNC(=O)NCCOc1ccccc1)C1CC1
InChIInChI=1S/C15H22N2O3/c1-15(19,12-7-8-12)11-17-14(18)16-9-10-20-13-5-3-2-4-6-13/h2-6,12,19H,7-11H2,1H3,(H2,16,17,18)/t15-/m1/s1
InChIKeyPJWREWPSFSVUDU-OAHLLOKOSA-N
XLogP1.53
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-phenoxyethylcarbamoylamino)acetate
CID 108887152
2-[(2-tert-butylcyclohexyl)amino]-N-(2-phenoxyethyl)acetamide
CID 56570257
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 52907058
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
3-methylsulfanyl-N-(2-phenoxyethyl)propanamide
CID 112794610
N-(2,3-dihydroxy-2-methylpropyl)-4-phenoxybutanamide
CID 66168988
N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide
CID 119684535
N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 90499307
N-(2-phenoxyethyl)-3-piperidin-4-ylpropanamide
CID 62211306
tert-butyl 4-[(2R)-4-oxo-4-(2-phenoxyethylamino)butan-2-yl]piperidine-1-carboxylate
CID 124889372
tert-butyl 4-[(2S)-4-oxo-4-(2-phenoxyethylamino)butan-2-yl]piperidine-1-carboxylate
CID 124889370

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(2-phenoxyethyl)urea?
The IUPAC name of 1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(2-phenoxyethyl)urea (CID 95986154) is 1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(2-phenoxyethyl)urea.
What is the SMILES notation for 1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(2-phenoxyethyl)urea?
The canonical SMILES for 1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(2-phenoxyethyl)urea is C[C@@](O)(CNC(=O)NCCOc1ccccc1)C1CC1.
What is the InChIKey of 1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(2-phenoxyethyl)urea?
The InChIKey is PJWREWPSFSVUDU-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(19,12-7-8-12)11-17-14(18)16-9-10-20-13-5-3-2-4-6-13/h2-6,12,19H,7-11H2,1H3,(H2,16,17,18)/t15-/m1/s1.
What are the key properties of 1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(2-phenoxyethyl)urea?
1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(2-phenoxyethyl)urea has a molecular weight of 278.35 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(2-phenoxyethyl)urea is sourced from PubChem (CID 95986154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).