1-(2-methylpropyl)-3-[(2S)-1-oxo-3-phenylpropan-2-yl]-1-(2-phenylmethoxyethyl)urea

C23H30N2O3 — CID 15949750

IUPAC1-(2-methylpropyl)-3-[(2S)-1-oxo-3-phenylpropan-2-yl]-1-(2-phenylmethoxyethyl)urea
SMILESCC(C)CN(CCOCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1
InChIInChI=1S/C23H30N2O3/c1-19(2)16-25(13-14-28-18-21-11-7-4-8-12-21)23(27)24-22(17-26)15-20-9-5-3-6-10-20/h3-12,17,19,22H,13-16,18H2,1-2H3,(H,24,27)/t22-/m0/s1
InChIKeyXGAXOXNDFFELKW-QFIPXVFZSA-N
MW382.50 g/mol
LogP3.68
Rot. Bonds11

About 1-(2-methylpropyl)-3-[(2S)-1-oxo-3-phenylpropan-2-yl]-1-(2-phenylmethoxyethyl)urea

1-(2-methylpropyl)-3-[(2S)-1-oxo-3-phenylpropan-2-yl]-1-(2-phenylmethoxyethyl)urea (PubChem CID 15949750) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[(2S)-1-oxo-3-phenylpropan-2-yl]-1-(2-phenylmethoxyethyl)urea.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[(2S)-1-oxo-3-phenylpropan-2-yl]-1-(2-phenylmethoxyethyl)urea
PubChem CID15949750
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name1-(2-methylpropyl)-3-[(2S)-1-oxo-3-phenylpropan-2-yl]-1-(2-phenylmethoxyethyl)urea
SMILESCC(C)CN(CCOCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1
InChIInChI=1S/C23H30N2O3/c1-19(2)16-25(13-14-28-18-21-11-7-4-8-12-21)23(27)24-22(17-26)15-20-9-5-3-6-10-20/h3-12,17,19,22H,13-16,18H2,1-2H3,(H,24,27)/t22-/m0/s1
InChIKeyXGAXOXNDFFELKW-QFIPXVFZSA-N
XLogP3.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 72430
CID 72430
CID 5287799
CID 5287799
CID 10252805
CID 10252805
CID 381816
CID 381816
CID 11199915
CID 11199915
CID 12628842
CID 12628842
CID 24313
CID 24313
CID 34309
CID 34309
CID 23647120
CID 23647120
CID 7021150
CID 7021150
CID 9907994
CID 9907994
CID 11059525
CID 11059525

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[(2S)-1-oxo-3-phenylpropan-2-yl]-1-(2-phenylmethoxyethyl)urea?
The IUPAC name of 1-(2-methylpropyl)-3-[(2S)-1-oxo-3-phenylpropan-2-yl]-1-(2-phenylmethoxyethyl)urea (CID 15949750) is 1-(2-methylpropyl)-3-[(2S)-1-oxo-3-phenylpropan-2-yl]-1-(2-phenylmethoxyethyl)urea.
What is the SMILES notation for 1-(2-methylpropyl)-3-[(2S)-1-oxo-3-phenylpropan-2-yl]-1-(2-phenylmethoxyethyl)urea?
The canonical SMILES for 1-(2-methylpropyl)-3-[(2S)-1-oxo-3-phenylpropan-2-yl]-1-(2-phenylmethoxyethyl)urea is CC(C)CN(CCOCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1.
What is the InChIKey of 1-(2-methylpropyl)-3-[(2S)-1-oxo-3-phenylpropan-2-yl]-1-(2-phenylmethoxyethyl)urea?
The InChIKey is XGAXOXNDFFELKW-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-19(2)16-25(13-14-28-18-21-11-7-4-8-12-21)23(27)24-22(17-26)15-20-9-5-3-6-10-20/h3-12,17,19,22H,13-16,18H2,1-2H3,(H,24,27)/t22-/m0/s1.
What are the key properties of 1-(2-methylpropyl)-3-[(2S)-1-oxo-3-phenylpropan-2-yl]-1-(2-phenylmethoxyethyl)urea?
1-(2-methylpropyl)-3-[(2S)-1-oxo-3-phenylpropan-2-yl]-1-(2-phenylmethoxyethyl)urea has a molecular weight of 382.50 g/mol, XLogP of 3.68, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[(2S)-1-oxo-3-phenylpropan-2-yl]-1-(2-phenylmethoxyethyl)urea is sourced from PubChem (CID 15949750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).