(2S)-2-[butanoyl-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide

C18H27ClN2O2 — CID 100576957

IUPAC(2S)-2-[butanoyl-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide
SMILESCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCC
InChIInChI=1S/C18H27ClN2O2/c1-4-7-17(22)21(13-14-8-10-15(19)11-9-14)16(6-3)18(23)20-12-5-2/h8-11,16H,4-7,12-13H2,1-3H3,(H,20,23)/t16-/m0/s1
InChIKeyUDFQLGAPLZDMDD-INIZCTEOSA-N
MW338.88 g/mol
LogP3.77
Rot. Bonds9

About (2S)-2-[butanoyl-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide

(2S)-2-[butanoyl-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide (PubChem CID 100576957) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is (2S)-2-[butanoyl-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide.

Molecular Properties

Compound Name(2S)-2-[butanoyl-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide
PubChem CID100576957
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name(2S)-2-[butanoyl-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide
SMILESCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCC
InChIInChI=1S/C18H27ClN2O2/c1-4-7-17(22)21(13-14-8-10-15(19)11-9-14)16(6-3)18(23)20-12-5-2/h8-11,16H,4-7,12-13H2,1-3H3,(H,20,23)/t16-/m0/s1
InChIKeyUDFQLGAPLZDMDD-INIZCTEOSA-N
XLogP3.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide
CID 132666533
(2S)-2-[(4-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propylbutanamide
CID 100574907
2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132650769
(2S)-2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-propylbutanamide
CID 100571001
(2S)-2-[(4-chlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide
CID 100576018
2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-propylbutanamide
CID 132656059
(2R)-2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propylbutanamide
CID 100575770
(2S)-2-[[2-(2-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide
CID 100576993
(2R)-2-[(4-chlorophenyl)methyl-(4-phenoxybutanoyl)amino]-N-propylbutanamide
CID 100575126
(2S)-2-[4-(4-chlorophenoxy)butanoyl-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100561518
(2R)-2-[4-(4-chlorophenoxy)butanoyl-[(4-fluorophenyl)methyl]amino]-N-propylbutanamide
CID 100581522
2-[(4-chlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-propylbutanamide
CID 132664753

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[butanoyl-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide?
The IUPAC name of (2S)-2-[butanoyl-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide (CID 100576957) is (2S)-2-[butanoyl-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide.
What is the SMILES notation for (2S)-2-[butanoyl-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide?
The canonical SMILES for (2S)-2-[butanoyl-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide is CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCC.
What is the InChIKey of (2S)-2-[butanoyl-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide?
The InChIKey is UDFQLGAPLZDMDD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27ClN2O2/c1-4-7-17(22)21(13-14-8-10-15(19)11-9-14)16(6-3)18(23)20-12-5-2/h8-11,16H,4-7,12-13H2,1-3H3,(H,20,23)/t16-/m0/s1.
What are the key properties of (2S)-2-[butanoyl-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide?
(2S)-2-[butanoyl-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide has a molecular weight of 338.88 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[butanoyl-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide is sourced from PubChem (CID 100576957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).