N-tert-butyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide

C24H32N2O2 — CID 132702936

IUPACN-tert-butyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide
SMILESCCC(C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1
InChIInChI=1S/C24H32N2O2/c1-6-21(23(28)25-24(3,4)5)26(17-20-14-12-18(2)13-15-20)22(27)16-19-10-8-7-9-11-19/h7-15,21H,6,16-17H2,1-5H3,(H,25,28)
InChIKeyLNLWAUIDFCIXML-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.26
Rot. Bonds7

About N-tert-butyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide

N-tert-butyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide (PubChem CID 132702936) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide
PubChem CID132702936
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-tert-butyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide
SMILESCCC(C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1
InChIInChI=1S/C24H32N2O2/c1-6-21(23(28)25-24(3,4)5)26(17-20-14-12-18(2)13-15-20)22(27)16-19-10-8-7-9-11-19/h7-15,21H,6,16-17H2,1-5H3,(H,25,28)
InChIKeyLNLWAUIDFCIXML-UHFFFAOYSA-N
XLogP4.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-tert-butylbutanamide
CID 132704423
(2S)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide
CID 100541940
2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132702861
N-tert-butyl-2-[[2-(2,6-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 132716713
N-tert-butyl-2-[[2-(4-methoxyphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133147683
N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide
CID 132708157
N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 132712901
N-[1-(tert-butylamino)-1-oxo-3-phenylpropan-2-yl]-N-[(4-methylphenyl)methyl]butanamide
CID 133147617
(2S)-2-[[2-(4-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100562451
2-[benzyl-(2-phenylacetyl)amino]-N,N'-ditert-butylpropanediamide
CID 11004638
N-tert-butyl-2-[(4-methylphenyl)methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]butanamide
CID 132710666
N-tert-butyl-2-[[2-(4-methylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 132707171

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide?
The IUPAC name of N-tert-butyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide (CID 132702936) is N-tert-butyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide.
What is the SMILES notation for N-tert-butyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide?
The canonical SMILES for N-tert-butyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide is CCC(C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1.
What is the InChIKey of N-tert-butyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide?
The InChIKey is LNLWAUIDFCIXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-6-21(23(28)25-24(3,4)5)26(17-20-14-12-18(2)13-15-20)22(27)16-19-10-8-7-9-11-19/h7-15,21H,6,16-17H2,1-5H3,(H,25,28).
What are the key properties of N-tert-butyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide?
N-tert-butyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide has a molecular weight of 380.53 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide is sourced from PubChem (CID 132702936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).