benzyl N-[2-hydroxy-4-[methoxy(methyl)amino]-4-oxobutyl]carbamate

C14H20N2O5 — CID 172915842

IUPACbenzyl N-[2-hydroxy-4-[methoxy(methyl)amino]-4-oxobutyl]carbamate
SMILESCON(C)C(=O)CC(O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O5/c1-16(20-2)13(18)8-12(17)9-15-14(19)21-10-11-6-4-3-5-7-11/h3-7,12,17H,8-10H2,1-2H3,(H,15,19)
InChIKeyJOOFJKKWDXTAJJ-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.68
Rot. Bonds7

About benzyl N-[2-hydroxy-4-[methoxy(methyl)amino]-4-oxobutyl]carbamate

benzyl N-[2-hydroxy-4-[methoxy(methyl)amino]-4-oxobutyl]carbamate (PubChem CID 172915842) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is benzyl N-[2-hydroxy-4-[methoxy(methyl)amino]-4-oxobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-hydroxy-4-[methoxy(methyl)amino]-4-oxobutyl]carbamate
PubChem CID172915842
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Namebenzyl N-[2-hydroxy-4-[methoxy(methyl)amino]-4-oxobutyl]carbamate
SMILESCON(C)C(=O)CC(O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O5/c1-16(20-2)13(18)8-12(17)9-15-14(19)21-10-11-6-4-3-5-7-11/h3-7,12,17H,8-10H2,1-2H3,(H,15,19)
InChIKeyJOOFJKKWDXTAJJ-UHFFFAOYSA-N
XLogP0.68
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[11-[methoxy(methyl)amino]-11-oxoundecyl]carbamate
CID 59544023
4-[methoxy(methyl)amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
CID 22134570
benzyl N-[3-(dimethylamino)-2-phenylpropyl]carbamate
CID 18470878
benzyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo(1,2,3-13C3)propan-2-yl]carbamate
CID 73292966
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
benzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate
CID 124679296
benzyl N-[(2R)-2-hydroxy-3-phenoxypropyl]carbamate
CID 102235547
benzyl N-[(2S)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 10469699
benzyl N-[2-(methylamino)-3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 59366972
methyl 2,3-bis(phenylmethoxycarbonylamino)propanoate
CID 130148530
benzyl N-[(2S)-4-amino-2-methyl-4-oxobutyl]carbamate
CID 118167943
benzyl N-[(2R,3S)-2,3-dihydroxypent-4-enyl]carbamate
CID 14701263

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-hydroxy-4-[methoxy(methyl)amino]-4-oxobutyl]carbamate?
The IUPAC name of benzyl N-[2-hydroxy-4-[methoxy(methyl)amino]-4-oxobutyl]carbamate (CID 172915842) is benzyl N-[2-hydroxy-4-[methoxy(methyl)amino]-4-oxobutyl]carbamate.
What is the SMILES notation for benzyl N-[2-hydroxy-4-[methoxy(methyl)amino]-4-oxobutyl]carbamate?
The canonical SMILES for benzyl N-[2-hydroxy-4-[methoxy(methyl)amino]-4-oxobutyl]carbamate is CON(C)C(=O)CC(O)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-hydroxy-4-[methoxy(methyl)amino]-4-oxobutyl]carbamate?
The InChIKey is JOOFJKKWDXTAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-16(20-2)13(18)8-12(17)9-15-14(19)21-10-11-6-4-3-5-7-11/h3-7,12,17H,8-10H2,1-2H3,(H,15,19).
What are the key properties of benzyl N-[2-hydroxy-4-[methoxy(methyl)amino]-4-oxobutyl]carbamate?
benzyl N-[2-hydroxy-4-[methoxy(methyl)amino]-4-oxobutyl]carbamate has a molecular weight of 296.32 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-hydroxy-4-[methoxy(methyl)amino]-4-oxobutyl]carbamate is sourced from PubChem (CID 172915842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).