(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide

C15H21N3O3 — CID 61178628

IUPAC(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1cccc(N2CCOC2=O)c1
InChIInChI=1S/C15H21N3O3/c1-15(2,3)12(16)13(19)17-10-5-4-6-11(9-10)18-7-8-21-14(18)20/h4-6,9,12H,7-8,16H2,1-3H3,(H,17,19)/t12-/m1/s1
InChIKeyNIEWERBGWANODC-GFCCVEGCSA-N
MW291.35 g/mol
LogP1.96
Rot. Bonds3

About (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide

(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide (PubChem CID 61178628) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide
PubChem CID61178628
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1cccc(N2CCOC2=O)c1
InChIInChI=1S/C15H21N3O3/c1-15(2,3)12(16)13(19)17-10-5-4-6-11(9-10)18-7-8-21-14(18)20/h4-6,9,12H,7-8,16H2,1-3H3,(H,17,19)/t12-/m1/s1
InChIKeyNIEWERBGWANODC-GFCCVEGCSA-N
XLogP1.96
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide with MolForge

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Related Compounds

2-amino-4-methoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide
CID 62475194
2,2,3,3-tetrafluoro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propanamide
CID 103732683
N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide
CID 76891982
N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 55610055
3-[3-[2-(tert-butylamino)ethylamino]phenyl]-1,3-oxazolidin-2-one
CID 107445145
(2S)-2-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-phenylpentanamide
CID 97258741
1-amino-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxamide
CID 60852641
2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76888107
N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-phenylacetamide
CID 110874037
(2S)-2-amino-3,3-dimethyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)butanamide
CID 119889241
(2S,3R)-2,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide
CID 97022621
(2R,3S)-2,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide
CID 97022624

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide (CID 61178628) is (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide is CC(C)(C)[C@H](N)C(=O)Nc1cccc(N2CCOC2=O)c1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide?
The InChIKey is NIEWERBGWANODC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(2,3)12(16)13(19)17-10-5-4-6-11(9-10)18-7-8-21-14(18)20/h4-6,9,12H,7-8,16H2,1-3H3,(H,17,19)/t12-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide has a molecular weight of 291.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide is sourced from PubChem (CID 61178628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).