(3S)-N-(2-amino-2-oxoethyl)-N,3-dimethyl-5-phenylpentanamide

C15H22N2O2 — CID 94219124

IUPAC(3S)-N-(2-amino-2-oxoethyl)-N,3-dimethyl-5-phenylpentanamide
SMILESC[C@@H](CCc1ccccc1)CC(=O)N(C)CC(N)=O
InChIInChI=1S/C15H22N2O2/c1-12(8-9-13-6-4-3-5-7-13)10-15(19)17(2)11-14(16)18/h3-7,12H,8-11H2,1-2H3,(H2,16,18)/t12-/m0/s1
InChIKeyDEPCHMCTYHPAGT-LBPRGKRZSA-N
MW262.35 g/mol
LogP1.59
Rot. Bonds7

About (3S)-N-(2-amino-2-oxoethyl)-N,3-dimethyl-5-phenylpentanamide

(3S)-N-(2-amino-2-oxoethyl)-N,3-dimethyl-5-phenylpentanamide (PubChem CID 94219124) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3S)-N-(2-amino-2-oxoethyl)-N,3-dimethyl-5-phenylpentanamide.

Molecular Properties

Compound Name(3S)-N-(2-amino-2-oxoethyl)-N,3-dimethyl-5-phenylpentanamide
PubChem CID94219124
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(3S)-N-(2-amino-2-oxoethyl)-N,3-dimethyl-5-phenylpentanamide
SMILESC[C@@H](CCc1ccccc1)CC(=O)N(C)CC(N)=O
InChIInChI=1S/C15H22N2O2/c1-12(8-9-13-6-4-3-5-7-13)10-15(19)17(2)11-14(16)18/h3-7,12H,8-11H2,1-2H3,(H2,16,18)/t12-/m0/s1
InChIKeyDEPCHMCTYHPAGT-LBPRGKRZSA-N
XLogP1.59
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-5-phenylpentanamide
CID 66761020
2-[[2-(2-benzylphenoxy)acetyl]-methylamino]acetamide
CID 56813072
(3S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methyl-5-phenylpentanamide
CID 95591362
(2S)-2-methyl-4-phenylbutanamide;molecular hydrogen
CID 143947472
2-phenylethyl N-(2-amino-2-oxoethyl)-N-methylcarbamodithioate
CID 151027673
2-methyl-4-phenylbutanoic acid
CID 66896591
2-amino-N-[4-(cyclodecapentaenyl)butan-2-yl]-N-methylacetamide
CID 123171697
N-(2-amino-2-oxoethyl)-N-methyl-3-oxo-3-phenylpropanamide
CID 110476049
N-[4-(3-amino-3-oxopropoxy)phenyl]-3-methyl-5-phenylpentanamide
CID 86866265
4-amino-4-oxo-2-(2-phenylethyl)butanoic acid
CID 67288843
2,4-dimethyl-6-phenylhexanoic acid
CID 174481116
N-benzyl-N,2-dimethyl-4-phenylbutan-1-amine
CID 162416433

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-amino-2-oxoethyl)-N,3-dimethyl-5-phenylpentanamide?
The IUPAC name of (3S)-N-(2-amino-2-oxoethyl)-N,3-dimethyl-5-phenylpentanamide (CID 94219124) is (3S)-N-(2-amino-2-oxoethyl)-N,3-dimethyl-5-phenylpentanamide.
What is the SMILES notation for (3S)-N-(2-amino-2-oxoethyl)-N,3-dimethyl-5-phenylpentanamide?
The canonical SMILES for (3S)-N-(2-amino-2-oxoethyl)-N,3-dimethyl-5-phenylpentanamide is C[C@@H](CCc1ccccc1)CC(=O)N(C)CC(N)=O.
What is the InChIKey of (3S)-N-(2-amino-2-oxoethyl)-N,3-dimethyl-5-phenylpentanamide?
The InChIKey is DEPCHMCTYHPAGT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(8-9-13-6-4-3-5-7-13)10-15(19)17(2)11-14(16)18/h3-7,12H,8-11H2,1-2H3,(H2,16,18)/t12-/m0/s1.
What are the key properties of (3S)-N-(2-amino-2-oxoethyl)-N,3-dimethyl-5-phenylpentanamide?
(3S)-N-(2-amino-2-oxoethyl)-N,3-dimethyl-5-phenylpentanamide has a molecular weight of 262.35 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-amino-2-oxoethyl)-N,3-dimethyl-5-phenylpentanamide is sourced from PubChem (CID 94219124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).