4-(3-chlorophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]butanamide

C18H25ClN2O2 — CID 110625244

IUPAC4-(3-chlorophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]butanamide
SMILESO=C(CCCc1cccc(Cl)c1)NCC(=O)NC1CCCCC1
InChIInChI=1S/C18H25ClN2O2/c19-15-8-4-6-14(12-15)7-5-11-17(22)20-13-18(23)21-16-9-2-1-3-10-16/h4,6,8,12,16H,1-3,5,7,9-11,13H2,(H,20,22)(H,21,23)
InChIKeyHCJUQXSDSZMXLB-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.23
Rot. Bonds7

About 4-(3-chlorophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]butanamide

4-(3-chlorophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]butanamide (PubChem CID 110625244) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]butanamide
PubChem CID110625244
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name4-(3-chlorophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]butanamide
SMILESO=C(CCCc1cccc(Cl)c1)NCC(=O)NC1CCCCC1
InChIInChI=1S/C18H25ClN2O2/c19-15-8-4-6-14(12-15)7-5-11-17(22)20-13-18(23)21-16-9-2-1-3-10-16/h4,6,8,12,16H,1-3,5,7,9-11,13H2,(H,20,22)(H,21,23)
InChIKeyHCJUQXSDSZMXLB-UHFFFAOYSA-N
XLogP3.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
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3-[(3-chlorophenyl)methylsulfanyl]-N-cyclooctylpropanamide
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N-[2-(3-chlorophenyl)ethyl]-N'-cyclopentyloxamide
CID 108984045
N-[2-(cyclopropylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide
CID 110423518
N-[2-(cyclohexylamino)-2-oxoethyl]-2-phenylacetamide
CID 51160966
N-[2-(cyclohexylamino)-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide
CID 110305405
2-N-[2-(3-chlorophenyl)ethyl]-1-N-cycloheptylcyclopropane-1,2-dicarboxamide
CID 109139702
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 113123179
2-(3-bromophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
CID 112990967
3-(3-chloroanilino)-N-cycloheptylpropanamide
CID 109031475
N-cyclopentyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide
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6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid
CID 43579976

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]butanamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]butanamide (CID 110625244) is 4-(3-chlorophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]butanamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]butanamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]butanamide is O=C(CCCc1cccc(Cl)c1)NCC(=O)NC1CCCCC1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]butanamide?
The InChIKey is HCJUQXSDSZMXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c19-15-8-4-6-14(12-15)7-5-11-17(22)20-13-18(23)21-16-9-2-1-3-10-16/h4,6,8,12,16H,1-3,5,7,9-11,13H2,(H,20,22)(H,21,23).
What are the key properties of 4-(3-chlorophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]butanamide?
4-(3-chlorophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]butanamide has a molecular weight of 336.86 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]butanamide is sourced from PubChem (CID 110625244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).