benzyl N-methyl-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamate

C21H26N2O3 — CID 10383504

IUPACbenzyl N-methyl-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamate
SMILESC[C@H](C(=O)NCCCc1ccccc1)N(C)C(=O)OCc1ccccc1
InChIInChI=1S/C21H26N2O3/c1-17(20(24)22-15-9-14-18-10-5-3-6-11-18)23(2)21(25)26-16-19-12-7-4-8-13-19/h3-8,10-13,17H,9,14-16H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyWBXNAPKLNAKYCM-QGZVFWFLSA-N
MW354.45 g/mol
LogP3.39
Rot. Bonds8

About benzyl N-methyl-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamate

benzyl N-methyl-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamate (PubChem CID 10383504) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is benzyl N-methyl-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-methyl-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamate
PubChem CID10383504
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Namebenzyl N-methyl-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamate
SMILESC[C@H](C(=O)NCCCc1ccccc1)N(C)C(=O)OCc1ccccc1
InChIInChI=1S/C21H26N2O3/c1-17(20(24)22-15-9-14-18-10-5-3-6-11-18)23(2)21(25)26-16-19-12-7-4-8-13-19/h3-8,10-13,17H,9,14-16H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyWBXNAPKLNAKYCM-QGZVFWFLSA-N
XLogP3.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 75492678
ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 59729658
(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride
CID 70408513
nonyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 91699669
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
N-(3-phenylpropyl)-2-sulfanylpropanamide
CID 107023594
(2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide
CID 22690930
benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate
CID 130159197
benzyl N-methyl-N-[(2S)-1-[(6-methyl-2-oxo-1H-pyridin-3-yl)amino]-1-oxopropan-2-yl]carbamate
CID 67208093
(2S)-2-cyclohexyl-2-[[(2S)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]propanoic acid
CID 66973241
(2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide
CID 94187133
benzyl N-methyl-N-(1-methylsulfanylpropan-2-yl)carbamate
CID 67311271

Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamate?
The IUPAC name of benzyl N-methyl-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamate (CID 10383504) is benzyl N-methyl-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamate.
What is the SMILES notation for benzyl N-methyl-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamate?
The canonical SMILES for benzyl N-methyl-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamate is C[C@H](C(=O)NCCCc1ccccc1)N(C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-methyl-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamate?
The InChIKey is WBXNAPKLNAKYCM-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-17(20(24)22-15-9-14-18-10-5-3-6-11-18)23(2)21(25)26-16-19-12-7-4-8-13-19/h3-8,10-13,17H,9,14-16H2,1-2H3,(H,22,24)/t17-/m1/s1.
What are the key properties of benzyl N-methyl-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamate?
benzyl N-methyl-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamate has a molecular weight of 354.45 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methyl-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamate is sourced from PubChem (CID 10383504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).