N-butyl-2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide

C28H40N2O2 — CID 132713177

IUPACN-butyl-2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide
SMILESCCCCNC(=O)C(C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C28H40N2O2/c1-7-8-19-29-27(32)22(3)30(20-24-11-9-21(2)10-12-24)26(31)18-15-23-13-16-25(17-14-23)28(4,5)6/h9-14,16-17,22H,7-8,15,18-20H2,1-6H3,(H,29,32)
InChIKeyBSRJILATWSMBCT-UHFFFAOYSA-N
MW436.64 g/mol
LogP5.56
Rot. Bonds10

About N-butyl-2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide

N-butyl-2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide (PubChem CID 132713177) has the molecular formula C28H40N2O2 and a molecular weight of 436.64 g/mol. Its IUPAC name is N-butyl-2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-butyl-2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide
PubChem CID132713177
Molecular FormulaC28H40N2O2
Molecular Weight436.64 g/mol
Exact Mass436.31
IUPAC NameN-butyl-2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide
SMILESCCCCNC(=O)C(C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C28H40N2O2/c1-7-8-19-29-27(32)22(3)30(20-24-11-9-21(2)10-12-24)26(31)18-15-23-13-16-25(17-14-23)28(4,5)6/h9-14,16-17,22H,7-8,15,18-20H2,1-6H3,(H,29,32)
InChIKeyBSRJILATWSMBCT-UHFFFAOYSA-N
XLogP5.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.64
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-tert-butylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-propylpropanamide
CID 132668005
2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide
CID 132701689
2-[3-(4-tert-butylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-ethylpropanamide
CID 132664191
(2S)-N-butyl-2-[(2-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]propanamide
CID 100562497
2-[3-(4-tert-butylphenyl)propanoyl-[(3-methylphenyl)methyl]amino]-N-ethylpropanamide
CID 132663305
N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide
CID 132707568
2-[(4-bromophenyl)methyl-(3-phenylpropanoyl)amino]-N-butylpropanamide
CID 133152094
2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 133148986
(2R)-N-butyl-2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenylpropanamide
CID 100603460
(2S)-2-[(4-bromophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-butylpropanamide
CID 100577892
N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide
CID 132706662
(2R)-2-[3-(4-tert-butylphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100520666

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide?
The IUPAC name of N-butyl-2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide (CID 132713177) is N-butyl-2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-butyl-2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide?
The canonical SMILES for N-butyl-2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide is CCCCNC(=O)C(C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-butyl-2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide?
The InChIKey is BSRJILATWSMBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O2/c1-7-8-19-29-27(32)22(3)30(20-24-11-9-21(2)10-12-24)26(31)18-15-23-13-16-25(17-14-23)28(4,5)6/h9-14,16-17,22H,7-8,15,18-20H2,1-6H3,(H,29,32).
What are the key properties of N-butyl-2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide?
N-butyl-2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide has a molecular weight of 436.64 g/mol, XLogP of 5.56, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 132713177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).