2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide

C18H27ClN2O2 — CID 132700111

IUPAC2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide
SMILESCCC(=O)N(Cc1ccc(Cl)cc1)C(CC)C(=O)NCC(C)C
InChIInChI=1S/C18H27ClN2O2/c1-5-16(18(23)20-11-13(3)4)21(17(22)6-2)12-14-7-9-15(19)10-8-14/h7-10,13,16H,5-6,11-12H2,1-4H3,(H,20,23)
InChIKeyMMTFOQQQKFVCFE-UHFFFAOYSA-N
MW338.88 g/mol
LogP3.63
Rot. Bonds8

About 2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide

2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide (PubChem CID 132700111) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide
PubChem CID132700111
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide
SMILESCCC(=O)N(Cc1ccc(Cl)cc1)C(CC)C(=O)NCC(C)C
InChIInChI=1S/C18H27ClN2O2/c1-5-16(18(23)20-11-13(3)4)21(17(22)6-2)12-14-7-9-15(19)10-8-14/h7-10,13,16H,5-6,11-12H2,1-4H3,(H,20,23)
InChIKeyMMTFOQQQKFVCFE-UHFFFAOYSA-N
XLogP3.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methylphenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide
CID 132699432
(2S)-N-[(2R)-butan-2-yl]-2-[(4-chlorophenyl)methyl-propanoylamino]butanamide
CID 100708064
2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-(2-methylpropyl)butanamide
CID 132986175
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132708841
2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132708850
2-[(4-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-(2-methylpropyl)butanamide
CID 132711152
2-[(4-chlorophenyl)methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)butanamide
CID 132716049
2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132986177
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide
CID 132666533
(2S)-2-[butanoyl-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide
CID 100576957
2-[[2-[N-(benzenesulfonyl)anilino]acetyl]-[(4-chlorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132739845
2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132712765

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide (CID 132700111) is 2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide is CCC(=O)N(Cc1ccc(Cl)cc1)C(CC)C(=O)NCC(C)C.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide?
The InChIKey is MMTFOQQQKFVCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2/c1-5-16(18(23)20-11-13(3)4)21(17(22)6-2)12-14-7-9-15(19)10-8-14/h7-10,13,16H,5-6,11-12H2,1-4H3,(H,20,23).
What are the key properties of 2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide?
2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide has a molecular weight of 338.88 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 132700111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).