2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-tert-butylpropanamide

C26H36N2O2 — CID 132706628

IUPAC2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-tert-butylpropanamide
SMILESCC(C)c1ccc(CCC(=O)N(Cc2ccccc2)C(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C26H36N2O2/c1-19(2)23-15-12-21(13-16-23)14-17-24(29)28(18-22-10-8-7-9-11-22)20(3)25(30)27-26(4,5)6/h7-13,15-16,19-20H,14,17-18H2,1-6H3,(H,27,30)
InChIKeyBMQSRRGXAMSZBI-UHFFFAOYSA-N
MW408.59 g/mol
LogP5.07
Rot. Bonds8

About 2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-tert-butylpropanamide

2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-tert-butylpropanamide (PubChem CID 132706628) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-tert-butylpropanamide
PubChem CID132706628
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC Name2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-tert-butylpropanamide
SMILESCC(C)c1ccc(CCC(=O)N(Cc2ccccc2)C(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C26H36N2O2/c1-19(2)23-15-12-21(13-16-23)14-17-24(29)28(18-22-10-8-7-9-11-22)20(3)25(30)27-26(4,5)6/h7-13,15-16,19-20H,14,17-18H2,1-6H3,(H,27,30)
InChIKeyBMQSRRGXAMSZBI-UHFFFAOYSA-N
XLogP5.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide
CID 132724251
N-tert-butyl-2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 132704905
N-tert-butyl-2-[(3-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide
CID 133147360
N-tert-butyl-2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide
CID 133148019
N-tert-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide
CID 132706679
(2S)-2-[2-phenylethyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide
CID 100725909
N-methyl-2-[2-phenylethyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide
CID 132657119
N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]propanamide
CID 132720497
2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide
CID 132701689
2-[[2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetyl]-[(4-bromophenyl)methyl]amino]-N-tert-butylpropanamide
CID 133146137
(2S)-2-[(4-bromophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide
CID 100646101
2-[(4-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133265472

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-tert-butylpropanamide?
The IUPAC name of 2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-tert-butylpropanamide (CID 132706628) is 2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-tert-butylpropanamide?
The canonical SMILES for 2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-tert-butylpropanamide is CC(C)c1ccc(CCC(=O)N(Cc2ccccc2)C(C)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of 2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-tert-butylpropanamide?
The InChIKey is BMQSRRGXAMSZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-19(2)23-15-12-21(13-16-23)14-17-24(29)28(18-22-10-8-7-9-11-22)20(3)25(30)27-26(4,5)6/h7-13,15-16,19-20H,14,17-18H2,1-6H3,(H,27,30).
What are the key properties of 2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-tert-butylpropanamide?
2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-tert-butylpropanamide has a molecular weight of 408.59 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-tert-butylpropanamide is sourced from PubChem (CID 132706628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).