2,2-dimethyl-N-[2-[(2S)-tridecan-2-yl]phenyl]propanamide

C24H41NO — CID 15274530

IUPAC2,2-dimethyl-N-[2-[(2S)-tridecan-2-yl]phenyl]propanamide
SMILESCCCCCCCCCCC[C@H](C)c1ccccc1NC(=O)C(C)(C)C
InChIInChI=1S/C24H41NO/c1-6-7-8-9-10-11-12-13-14-17-20(2)21-18-15-16-19-22(21)25-23(26)24(3,4)5/h15-16,18-20H,6-14,17H2,1-5H3,(H,25,26)/t20-/m0/s1
InChIKeyQWTZYSODJFHCEF-FQEVSTJZSA-N
MW359.60 g/mol
LogP7.70
Rot. Bonds12

About 2,2-dimethyl-N-[2-[(2S)-tridecan-2-yl]phenyl]propanamide

2,2-dimethyl-N-[2-[(2S)-tridecan-2-yl]phenyl]propanamide (PubChem CID 15274530) has the molecular formula C24H41NO and a molecular weight of 359.60 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[(2S)-tridecan-2-yl]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[(2S)-tridecan-2-yl]phenyl]propanamide
PubChem CID15274530
Molecular FormulaC24H41NO
Molecular Weight359.60 g/mol
Exact Mass359.32
IUPAC Name2,2-dimethyl-N-[2-[(2S)-tridecan-2-yl]phenyl]propanamide
SMILESCCCCCCCCCCC[C@H](C)c1ccccc1NC(=O)C(C)(C)C
InChIInChI=1S/C24H41NO/c1-6-7-8-9-10-11-12-13-14-17-20(2)21-18-15-16-19-22(21)25-23(26)24(3,4)5/h15-16,18-20H,6-14,17H2,1-5H3,(H,25,26)/t20-/m0/s1
InChIKeyQWTZYSODJFHCEF-FQEVSTJZSA-N
XLogP7.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.60
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide
CID 114315470
N-(2-butan-2-ylphenyl)-3-chloro-2,2-dimethylpropanamide
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1-methyl-2-tetradecan-2-ylbenzene
CID 54096578
1-methyl-2-octan-2-ylbenzene
CID 86190056
N-[2-(1-hydroxyethyl)phenyl]-2,2-dimethylbutanamide
CID 55103349
2,2-dimethyl-N-[2-[phenyl(sulfanyl)methyl]phenyl]propanamide
CID 10828026
2-amino-2-methyl-N-(2-propan-2-ylphenyl)pentanamide
CID 60849102
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
1-bromo-2-[(2R)-nonan-2-yl]benzene
CID 139715975
sodium 2-dodecan-2-ylbenzenesulfonate
CID 23700934
N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide
CID 94840429
12-hydroxy-N-[2-(12-hydroxyoctadecanoylamino)phenyl]octadecanamide
CID 70182552

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[(2S)-tridecan-2-yl]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[(2S)-tridecan-2-yl]phenyl]propanamide (CID 15274530) is 2,2-dimethyl-N-[2-[(2S)-tridecan-2-yl]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[(2S)-tridecan-2-yl]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[(2S)-tridecan-2-yl]phenyl]propanamide is CCCCCCCCCCC[C@H](C)c1ccccc1NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[2-[(2S)-tridecan-2-yl]phenyl]propanamide?
The InChIKey is QWTZYSODJFHCEF-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H41NO/c1-6-7-8-9-10-11-12-13-14-17-20(2)21-18-15-16-19-22(21)25-23(26)24(3,4)5/h15-16,18-20H,6-14,17H2,1-5H3,(H,25,26)/t20-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[2-[(2S)-tridecan-2-yl]phenyl]propanamide?
2,2-dimethyl-N-[2-[(2S)-tridecan-2-yl]phenyl]propanamide has a molecular weight of 359.60 g/mol, XLogP of 7.70, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[(2S)-tridecan-2-yl]phenyl]propanamide is sourced from PubChem (CID 15274530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).