N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide

C24H31ClN2O2 — CID 132708157

IUPACN-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide
SMILESCCC(C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1
InChIInChI=1S/C24H31ClN2O2/c1-6-21(23(29)26-24(3,4)5)27(16-18-10-12-20(25)13-11-18)22(28)15-19-9-7-8-17(2)14-19/h7-14,21H,6,15-16H2,1-5H3,(H,26,29)
InChIKeyIHSARIOVQRHABH-UHFFFAOYSA-N
MW414.98 g/mol
LogP4.91
Rot. Bonds7

About N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide

N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide (PubChem CID 132708157) has the molecular formula C24H31ClN2O2 and a molecular weight of 414.98 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide
PubChem CID132708157
Molecular FormulaC24H31ClN2O2
Molecular Weight414.98 g/mol
Exact Mass414.21
IUPAC NameN-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide
SMILESCCC(C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1
InChIInChI=1S/C24H31ClN2O2/c1-6-21(23(29)26-24(3,4)5)27(16-18-10-12-20(25)13-11-18)22(28)15-19-9-7-8-17(2)14-19/h7-14,21H,6,15-16H2,1-5H3,(H,26,29)
InChIKeyIHSARIOVQRHABH-UHFFFAOYSA-N
XLogP4.91
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 ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132704519
2-[[2-(4-chlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132661425
N-tert-butyl-2-[[2-(2,6-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 132716713
N-tert-butyl-2-[[2-(2-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 132704509
N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]butanamide
CID 132708889
2-[benzyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-tert-butylbutanamide
CID 132704423
N-tert-butyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 132702936
N-tert-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]butanamide
CID 132615423
N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]butanamide
CID 132711821
N-tert-butyl-2-[[2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 132731728
N-tert-butyl-2-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 132719920
2-[[2-[N-(benzenesulfonyl)-4-chloroanilino]acetyl]-[(3-methylphenyl)methyl]amino]-N-tert-butylbutanamide
CID 132743504

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide?
The IUPAC name of N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide (CID 132708157) is N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide.
What is the SMILES notation for N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide?
The canonical SMILES for N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide is CCC(C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1.
What is the InChIKey of N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide?
The InChIKey is IHSARIOVQRHABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O2/c1-6-21(23(29)26-24(3,4)5)27(16-18-10-12-20(25)13-11-18)22(28)15-19-9-7-8-17(2)14-19/h7-14,21H,6,15-16H2,1-5H3,(H,26,29).
What are the key properties of N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide?
N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide has a molecular weight of 414.98 g/mol, XLogP of 4.91, 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-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide is sourced from PubChem (CID 132708157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).