pentyl 4-[[2-(2-chlorophenyl)acetyl]amino]butanoate

C17H24ClNO3 — CID 141143852

IUPACpentyl 4-[[2-(2-chlorophenyl)acetyl]amino]butanoate
SMILESCCCCCOC(=O)CCCNC(=O)Cc1ccccc1Cl
InChIInChI=1S/C17H24ClNO3/c1-2-3-6-12-22-17(21)10-7-11-19-16(20)13-14-8-4-5-9-15(14)18/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,19,20)
InChIKeyBUCLHVRUVCKYNG-UHFFFAOYSA-N
MW325.84 g/mol
LogP3.51
Rot. Bonds10

About pentyl 4-[[2-(2-chlorophenyl)acetyl]amino]butanoate

pentyl 4-[[2-(2-chlorophenyl)acetyl]amino]butanoate (PubChem CID 141143852) has the molecular formula C17H24ClNO3 and a molecular weight of 325.84 g/mol. Its IUPAC name is pentyl 4-[[2-(2-chlorophenyl)acetyl]amino]butanoate.

Molecular Properties

Compound Namepentyl 4-[[2-(2-chlorophenyl)acetyl]amino]butanoate
PubChem CID141143852
Molecular FormulaC17H24ClNO3
Molecular Weight325.84 g/mol
Exact Mass325.14
IUPAC Namepentyl 4-[[2-(2-chlorophenyl)acetyl]amino]butanoate
SMILESCCCCCOC(=O)CCCNC(=O)Cc1ccccc1Cl
InChIInChI=1S/C17H24ClNO3/c1-2-3-6-12-22-17(21)10-7-11-19-16(20)13-14-8-4-5-9-15(14)18/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,19,20)
InChIKeyBUCLHVRUVCKYNG-UHFFFAOYSA-N
XLogP3.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

pentyl 3-[(2-chlorobenzoyl)amino]propanoate
CID 91716440
decyl 3-[(2-chlorobenzoyl)amino]propanoate
CID 91716594
1-O-butyl 10-O-[2-(2-chlorophenyl)ethyl] decanedioate
CID 91715987
ethyl 4-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]amino]butanoate
CID 86908494
N-(4-amino-4-hydroxyiminobutyl)-2-(2-chlorophenyl)acetamide
CID 76953220
10-O-[(2,3-dichlorophenyl)methyl] 1-O-pentyl decanedioate
CID 91728984
butyl 4-[(2-hydroxybenzoyl)amino]butanoate
CID 141205227
tridecyl 5-[(2-methoxyphenyl)methylamino]-5-oxopentanoate
CID 91715527
10-O-[2-(2-chlorophenoxy)ethyl] 1-O-heptyl decanedioate
CID 91742695
4-(2-chlorophenyl)-N-(4-methoxybutyl)butanamide
CID 110610239
N-(2-aminoethyl)-2-(2-chlorophenyl)acetamide
CID 12841728
N-[(2-chlorophenyl)methyl]tetradecanamide
CID 54789460

Frequently Asked Questions

What is the IUPAC name of pentyl 4-[[2-(2-chlorophenyl)acetyl]amino]butanoate?
The IUPAC name of pentyl 4-[[2-(2-chlorophenyl)acetyl]amino]butanoate (CID 141143852) is pentyl 4-[[2-(2-chlorophenyl)acetyl]amino]butanoate.
What is the SMILES notation for pentyl 4-[[2-(2-chlorophenyl)acetyl]amino]butanoate?
The canonical SMILES for pentyl 4-[[2-(2-chlorophenyl)acetyl]amino]butanoate is CCCCCOC(=O)CCCNC(=O)Cc1ccccc1Cl.
What is the InChIKey of pentyl 4-[[2-(2-chlorophenyl)acetyl]amino]butanoate?
The InChIKey is BUCLHVRUVCKYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO3/c1-2-3-6-12-22-17(21)10-7-11-19-16(20)13-14-8-4-5-9-15(14)18/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,19,20).
What are the key properties of pentyl 4-[[2-(2-chlorophenyl)acetyl]amino]butanoate?
pentyl 4-[[2-(2-chlorophenyl)acetyl]amino]butanoate has a molecular weight of 325.84 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 4-[[2-(2-chlorophenyl)acetyl]amino]butanoate is sourced from PubChem (CID 141143852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).