N-methyl-N-[(2S)-3-oxo-1-phenylbutan-2-yl]propanamide

C14H19NO2 — CID 121451440

IUPACN-methyl-N-[(2S)-3-oxo-1-phenylbutan-2-yl]propanamide
SMILESCCC(=O)N(C)[C@@H](Cc1ccccc1)C(C)=O
InChIInChI=1S/C14H19NO2/c1-4-14(17)15(3)13(11(2)16)10-12-8-6-5-7-9-12/h5-9,13H,4,10H2,1-3H3/t13-/m0/s1
InChIKeyBANOLRRTOUDAPT-ZDUSSCGKSA-N
MW233.31 g/mol
LogP2.06
Rot. Bonds5

About N-methyl-N-[(2S)-3-oxo-1-phenylbutan-2-yl]propanamide

N-methyl-N-[(2S)-3-oxo-1-phenylbutan-2-yl]propanamide (PubChem CID 121451440) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-methyl-N-[(2S)-3-oxo-1-phenylbutan-2-yl]propanamide.

Molecular Properties

Compound NameN-methyl-N-[(2S)-3-oxo-1-phenylbutan-2-yl]propanamide
PubChem CID121451440
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-methyl-N-[(2S)-3-oxo-1-phenylbutan-2-yl]propanamide
SMILESCCC(=O)N(C)[C@@H](Cc1ccccc1)C(C)=O
InChIInChI=1S/C14H19NO2/c1-4-14(17)15(3)13(11(2)16)10-12-8-6-5-7-9-12/h5-9,13H,4,10H2,1-3H3/t13-/m0/s1
InChIKeyBANOLRRTOUDAPT-ZDUSSCGKSA-N
XLogP2.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(dibenzylamino)-4-phenylbutan-2-one
CID 10925962
3-benzylhexane-2,5-dione
CID 58379257
2-[acetyl(benzyl)amino]-3-phenylpropanoic acid
CID 15325398
2-[carbonochloridoyl(methyl)amino]-3-phenylpropanoic acid
CID 154004166
methyl (2S)-2-[methyl(3-sulfanylpropanoyl)amino]-3-phenylpropanoate
CID 87696057
N-[(2R)-1-phenylbutan-2-yl]acetamide
CID 778652
N-(1-phenylbutan-2-yl)acetamide
CID 2826983
(2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid
CID 825996
N-methyl-N-[(2S)-1-phenylpropan-2-yl]carbamoyl chloride
CID 167430953
2-(dihydroxyamino)-3-phenylpropanoic acid
CID 22141935
(2R)-2-acetamido-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 38359873
(2R)-2-[benzyl(propanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100741850

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S)-3-oxo-1-phenylbutan-2-yl]propanamide?
The IUPAC name of N-methyl-N-[(2S)-3-oxo-1-phenylbutan-2-yl]propanamide (CID 121451440) is N-methyl-N-[(2S)-3-oxo-1-phenylbutan-2-yl]propanamide.
What is the SMILES notation for N-methyl-N-[(2S)-3-oxo-1-phenylbutan-2-yl]propanamide?
The canonical SMILES for N-methyl-N-[(2S)-3-oxo-1-phenylbutan-2-yl]propanamide is CCC(=O)N(C)[C@@H](Cc1ccccc1)C(C)=O.
What is the InChIKey of N-methyl-N-[(2S)-3-oxo-1-phenylbutan-2-yl]propanamide?
The InChIKey is BANOLRRTOUDAPT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-14(17)15(3)13(11(2)16)10-12-8-6-5-7-9-12/h5-9,13H,4,10H2,1-3H3/t13-/m0/s1.
What are the key properties of N-methyl-N-[(2S)-3-oxo-1-phenylbutan-2-yl]propanamide?
N-methyl-N-[(2S)-3-oxo-1-phenylbutan-2-yl]propanamide has a molecular weight of 233.31 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S)-3-oxo-1-phenylbutan-2-yl]propanamide is sourced from PubChem (CID 121451440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).