2-[3-(4-tert-butylphenyl)propanoyl-[(2-chlorophenyl)methyl]amino]-N-methylpropanamide

C24H31ClN2O2 — CID 132664737

IUPAC2-[3-(4-tert-butylphenyl)propanoyl-[(2-chlorophenyl)methyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H31ClN2O2/c1-17(23(29)26-5)27(16-19-8-6-7-9-21(19)25)22(28)15-12-18-10-13-20(14-11-18)24(2,3)4/h6-11,13-14,17H,12,15-16H2,1-5H3,(H,26,29)
InChIKeyVQAMCOZTXWHBFQ-UHFFFAOYSA-N
MW414.98 g/mol
LogP4.73
Rot. Bonds7

About 2-[3-(4-tert-butylphenyl)propanoyl-[(2-chlorophenyl)methyl]amino]-N-methylpropanamide

2-[3-(4-tert-butylphenyl)propanoyl-[(2-chlorophenyl)methyl]amino]-N-methylpropanamide (PubChem CID 132664737) has the molecular formula C24H31ClN2O2 and a molecular weight of 414.98 g/mol. Its IUPAC name is 2-[3-(4-tert-butylphenyl)propanoyl-[(2-chlorophenyl)methyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[3-(4-tert-butylphenyl)propanoyl-[(2-chlorophenyl)methyl]amino]-N-methylpropanamide
PubChem CID132664737
Molecular FormulaC24H31ClN2O2
Molecular Weight414.98 g/mol
Exact Mass414.21
IUPAC Name2-[3-(4-tert-butylphenyl)propanoyl-[(2-chlorophenyl)methyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H31ClN2O2/c1-17(23(29)26-5)27(16-19-8-6-7-9-21(19)25)22(28)15-12-18-10-13-20(14-11-18)24(2,3)4/h6-11,13-14,17H,12,15-16H2,1-5H3,(H,26,29)
InChIKeyVQAMCOZTXWHBFQ-UHFFFAOYSA-N
XLogP4.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.98
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[3-(4-tert-butylphenyl)propanoyl-[(3-chlorophenyl)methyl]amino]-N-methylpropanamide
CID 100615935
2-[[2-(4-tert-butyl-N-methylsulfonylanilino)acetyl]-[(2-chlorophenyl)methyl]amino]-N-methylpropanamide
CID 132679047
(2R)-N-[(2S)-butan-2-yl]-2-[3-(4-tert-butylphenyl)propanoyl-[(2-chlorophenyl)methyl]amino]butanamide
CID 100693866
2-[(2,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide
CID 132659762
2-[3-(4-tert-butylphenyl)propanoyl-[(3-methylphenyl)methyl]amino]-N-methylpropanamide
CID 132660024
2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-ethylpropanamide
CID 132656033
2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propylpropanamide
CID 132668608
2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-(2-methylpropyl)propanamide
CID 132708058
(2R)-N-[(2S)-butan-2-yl]-2-[3-(4-tert-butylphenyl)propanoyl-[(2,6-dichlorophenyl)methyl]amino]propanamide
CID 100595722
N-butan-2-yl-2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 132705664
(2R)-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-methylpropanamide
CID 100631788
(2S)-N-[(2S)-butan-2-yl]-2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide
CID 100556959

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-tert-butylphenyl)propanoyl-[(2-chlorophenyl)methyl]amino]-N-methylpropanamide?
The IUPAC name of 2-[3-(4-tert-butylphenyl)propanoyl-[(2-chlorophenyl)methyl]amino]-N-methylpropanamide (CID 132664737) is 2-[3-(4-tert-butylphenyl)propanoyl-[(2-chlorophenyl)methyl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[3-(4-tert-butylphenyl)propanoyl-[(2-chlorophenyl)methyl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[3-(4-tert-butylphenyl)propanoyl-[(2-chlorophenyl)methyl]amino]-N-methylpropanamide is CNC(=O)C(C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[3-(4-tert-butylphenyl)propanoyl-[(2-chlorophenyl)methyl]amino]-N-methylpropanamide?
The InChIKey is VQAMCOZTXWHBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O2/c1-17(23(29)26-5)27(16-19-8-6-7-9-21(19)25)22(28)15-12-18-10-13-20(14-11-18)24(2,3)4/h6-11,13-14,17H,12,15-16H2,1-5H3,(H,26,29).
What are the key properties of 2-[3-(4-tert-butylphenyl)propanoyl-[(2-chlorophenyl)methyl]amino]-N-methylpropanamide?
2-[3-(4-tert-butylphenyl)propanoyl-[(2-chlorophenyl)methyl]amino]-N-methylpropanamide has a molecular weight of 414.98 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-tert-butylphenyl)propanoyl-[(2-chlorophenyl)methyl]amino]-N-methylpropanamide is sourced from PubChem (CID 132664737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).