2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexylbutanamide

C20H29ClN2O2 — CID 132761965

IUPAC2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexylbutanamide
SMILESCCC(=O)N(Cc1ccccc1Cl)C(CC)C(=O)NC1CCCCC1
InChIInChI=1S/C20H29ClN2O2/c1-3-18(20(25)22-16-11-6-5-7-12-16)23(19(24)4-2)14-15-10-8-9-13-17(15)21/h8-10,13,16,18H,3-7,11-12,14H2,1-2H3,(H,22,25)
InChIKeySKJWTAPCTNQTGN-UHFFFAOYSA-N
MW364.92 g/mol
LogP4.31
Rot. Bonds7

About 2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexylbutanamide

2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexylbutanamide (PubChem CID 132761965) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexylbutanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexylbutanamide
PubChem CID132761965
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC Name2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexylbutanamide
SMILESCCC(=O)N(Cc1ccccc1Cl)C(CC)C(=O)NC1CCCCC1
InChIInChI=1S/C20H29ClN2O2/c1-3-18(20(25)22-16-11-6-5-7-12-16)23(19(24)4-2)14-15-10-8-9-13-17(15)21/h8-10,13,16,18H,3-7,11-12,14H2,1-2H3,(H,22,25)
InChIKeySKJWTAPCTNQTGN-UHFFFAOYSA-N
XLogP4.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexyl-3-phenylpropanamide
CID 133177214
2-[[2-(4-chlorophenyl)acetyl]-[(2-chlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132614247
2-[(2-chlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-cyclopentylbutanamide
CID 132610488
2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclopentyl-3-phenylpropanamide
CID 133247823
2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide
CID 132612259
2-[[2-(2-chlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132616992
(2R)-2-[(2-chlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-cyclohexylbutanamide
CID 100555559
(2S)-2-[[2-(4-tert-butylphenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100554104
(2S)-2-[(2-chlorophenyl)methyl-[2-[(2-fluorophenyl)methylsulfanyl]acetyl]amino]-N-cyclohexylbutanamide
CID 100555354
(2S)-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-cyclohexylbutanamide
CID 100555429
2-[(2-chlorophenyl)methyl-propanoylamino]-N-methylbutanamide
CID 132650062
2-[(2-chlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-cyclopentylbutanamide
CID 132615871

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexylbutanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexylbutanamide (CID 132761965) is 2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexylbutanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexylbutanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexylbutanamide is CCC(=O)N(Cc1ccccc1Cl)C(CC)C(=O)NC1CCCCC1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexylbutanamide?
The InChIKey is SKJWTAPCTNQTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O2/c1-3-18(20(25)22-16-11-6-5-7-12-16)23(19(24)4-2)14-15-10-8-9-13-17(15)21/h8-10,13,16,18H,3-7,11-12,14H2,1-2H3,(H,22,25).
What are the key properties of 2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexylbutanamide?
2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexylbutanamide has a molecular weight of 364.92 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexylbutanamide is sourced from PubChem (CID 132761965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).