2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide

C15H23NO — CID 51374320

IUPAC2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)C(C)(C)C
InChIInChI=1S/C15H23NO/c1-12(16-14(17)15(2,3)4)10-11-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,16,17)/t12-/m0/s1
InChIKeyNGUNBIGBAQEKGP-LBPRGKRZSA-N
MW233.36 g/mol
LogP3.17
Rot. Bonds4

About 2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide

2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide (PubChem CID 51374320) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
PubChem CID51374320
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)C(C)(C)C
InChIInChI=1S/C15H23NO/c1-12(16-14(17)15(2,3)4)10-11-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,16,17)/t12-/m0/s1
InChIKeyNGUNBIGBAQEKGP-LBPRGKRZSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide
CID 4564814
(2S)-2-(2,2-dimethylpropanoylamino)-4-phenylbutanoic acid
CID 104983118
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
methyl N-[(2S)-4-phenylbutan-2-yl]carbamate
CID 888027
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
N-(4-phenylbutan-2-yl)-2-sulfanylacetamide
CID 60650069
(2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 143330073
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54209319
(2S)-2-cyano-3,3-dimethyl-N-[(2S)-4-phenylbutan-2-yl]butanamide
CID 100971600

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide (CID 51374320) is 2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide is C[C@@H](CCc1ccccc1)NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide?
The InChIKey is NGUNBIGBAQEKGP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(16-14(17)15(2,3)4)10-11-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,16,17)/t12-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide?
2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide has a molecular weight of 233.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide is sourced from PubChem (CID 51374320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).