benzyl N-(2-morpholin-4-yl-3-phenylpropyl)carbamate

C21H26N2O3 — CID 110403830

IUPACbenzyl N-(2-morpholin-4-yl-3-phenylpropyl)carbamate
SMILESO=C(NCC(Cc1ccccc1)N1CCOCC1)OCc1ccccc1
InChIInChI=1S/C21H26N2O3/c24-21(26-17-19-9-5-2-6-10-19)22-16-20(23-11-13-25-14-12-23)15-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,22,24)
InChIKeyMCKOORJKANELIH-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.86
Rot. Bonds7

About benzyl N-(2-morpholin-4-yl-3-phenylpropyl)carbamate

benzyl N-(2-morpholin-4-yl-3-phenylpropyl)carbamate (PubChem CID 110403830) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is benzyl N-(2-morpholin-4-yl-3-phenylpropyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-morpholin-4-yl-3-phenylpropyl)carbamate
PubChem CID110403830
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Namebenzyl N-(2-morpholin-4-yl-3-phenylpropyl)carbamate
SMILESO=C(NCC(Cc1ccccc1)N1CCOCC1)OCc1ccccc1
InChIInChI=1S/C21H26N2O3/c24-21(26-17-19-9-5-2-6-10-19)22-16-20(23-11-13-25-14-12-23)15-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,22,24)
InChIKeyMCKOORJKANELIH-UHFFFAOYSA-N
XLogP2.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-morpholin-4-yl-3-phenylpropyl)-3-propylurea
CID 110403837
N-(2-morpholin-4-yl-3-phenylpropyl)pyridine-2-carboxamide
CID 110665487
benzyl N-morpholin-4-ylcarbamate
CID 54530052
methyl N-(3-phenyl-2-piperidin-1-ylpropyl)carbamate
CID 110403986
(2R)-2-morpholin-4-yl-3-phenylpropan-1-ol
CID 107861547
1-(oxan-4-yl)-3-(3-phenyl-2-piperidin-1-ylpropyl)urea
CID 110611113
3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-3-phenylpropyl)butanamide
CID 110418357
N-(2-morpholin-4-yl-3-phenylpropyl)benzenesulfonamide
CID 110403847
2-cyclopropyl-2-(4-fluorophenyl)-N-(2-morpholin-4-yl-3-phenylpropyl)acetamide
CID 110420949
3-morpholin-4-yl-4-oxo-4-phenylmethoxybutanoic acid
CID 2943012
benzyl N-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-morpholin-4-ylpropyl]carbamate
CID 50986379
benzyl N-[(2S)-1-oxo-1-[16-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-2-yl]carbamate
CID 13291357

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-morpholin-4-yl-3-phenylpropyl)carbamate?
The IUPAC name of benzyl N-(2-morpholin-4-yl-3-phenylpropyl)carbamate (CID 110403830) is benzyl N-(2-morpholin-4-yl-3-phenylpropyl)carbamate.
What is the SMILES notation for benzyl N-(2-morpholin-4-yl-3-phenylpropyl)carbamate?
The canonical SMILES for benzyl N-(2-morpholin-4-yl-3-phenylpropyl)carbamate is O=C(NCC(Cc1ccccc1)N1CCOCC1)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-morpholin-4-yl-3-phenylpropyl)carbamate?
The InChIKey is MCKOORJKANELIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c24-21(26-17-19-9-5-2-6-10-19)22-16-20(23-11-13-25-14-12-23)15-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,22,24).
What are the key properties of benzyl N-(2-morpholin-4-yl-3-phenylpropyl)carbamate?
benzyl N-(2-morpholin-4-yl-3-phenylpropyl)carbamate has a molecular weight of 354.45 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-morpholin-4-yl-3-phenylpropyl)carbamate is sourced from PubChem (CID 110403830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).