butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate

C16H24N2O4 — CID 54291526

IUPACbutyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCCCCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)OC
InChIInChI=1S/C16H24N2O4/c1-4-5-11-22-16(20)17-14(15(19)18(2)21-3)12-13-9-7-6-8-10-13/h6-10,14H,4-5,11-12H2,1-3H3,(H,17,20)/t14-/m0/s1
InChIKeyRXVGWVANIDZILC-AWEZNQCLSA-N
MW308.38 g/mol
LogP2.14
Rot. Bonds8

About butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate

butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 54291526) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namebutyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
PubChem CID54291526
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Namebutyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCCCCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)OC
InChIInChI=1S/C16H24N2O4/c1-4-5-11-22-16(20)17-14(15(19)18(2)21-3)12-13-9-7-6-8-10-13/h6-10,14H,4-5,11-12H2,1-3H3,(H,17,20)/t14-/m0/s1
InChIKeyRXVGWVANIDZILC-AWEZNQCLSA-N
XLogP2.14
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9H-fluoren-9-ylmethyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 10938917
3-(butoxycarbonylamino)-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid
CID 141381989
butyl N-[(2S)-4-dimethoxyphosphoryl-3-oxo-1-phenylbutan-2-yl]carbamate
CID 161451328
nonyl 3-phenyl-2-(propoxycarbonylamino)propanoate
CID 6423362
butyl (4S)-5-[methoxy(methyl)amino]-5-oxo-4-[(2-phenylacetyl)amino]pentanoate
CID 126704441
butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 71223995
butyl (2S)-2-(2-methylpropoxycarbonylamino)-3-phenylpropanoate
CID 20836709
(2S)-2-[[(2S)-2-(butoxycarbonylamino)-3-phenylpropanoyl]amino]-4-methylpentanoic acid
CID 54463511
4-[methoxy(methyl)amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
CID 22134570
(2S)-2-(butoxycarbonylamino)-3-(3-methylphenyl)propanoic acid
CID 54537208
butyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 151882072
butyl N-[(2S,3R,6S)-6-(butoxycarbonylamino)-3-hydroxy-5-oxo-1,7-diphenylheptan-2-yl]carbamate
CID 70075608

Frequently Asked Questions

What is the IUPAC name of butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate?
The IUPAC name of butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate (CID 54291526) is butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate is CCCCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)OC.
What is the InChIKey of butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate?
The InChIKey is RXVGWVANIDZILC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-4-5-11-22-16(20)17-14(15(19)18(2)21-3)12-13-9-7-6-8-10-13/h6-10,14H,4-5,11-12H2,1-3H3,(H,17,20)/t14-/m0/s1.
What are the key properties of butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate?
butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 308.38 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 54291526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).