N-[2-(cyclohexylamino)-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide

C20H30N2O3 — CID 110305405

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide
SMILESCOc1ccc(CCCCC(=O)NCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H30N2O3/c1-25-18-13-11-16(12-14-18)7-5-6-10-19(23)21-15-20(24)22-17-8-3-2-4-9-17/h11-14,17H,2-10,15H2,1H3,(H,21,23)(H,22,24)
InChIKeyDOJGBTQKDCWJLE-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.97
Rot. Bonds9

About N-[2-(cyclohexylamino)-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide

N-[2-(cyclohexylamino)-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide (PubChem CID 110305405) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide
PubChem CID110305405
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide
SMILESCOc1ccc(CCCCC(=O)NCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H30N2O3/c1-25-18-13-11-16(12-14-18)7-5-6-10-19(23)21-15-20(24)22-17-8-3-2-4-9-17/h11-14,17H,2-10,15H2,1H3,(H,21,23)(H,22,24)
InChIKeyDOJGBTQKDCWJLE-UHFFFAOYSA-N
XLogP2.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(4-methoxyphenyl)-N-piperidin-4-ylhexanamide
CID 119387370
N-(4-aminocyclohexyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119476012
(2S)-N-cyclohexyl-1-[5-(4-methoxyphenyl)pentanoyl]pyrrolidine-2-carboxamide
CID 110305780
5-(4-methoxyphenyl)-N-(3-methylsulfanylcyclohexyl)pentanamide
CID 86966004
N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methoxyphenoxy)butanamide
CID 55951561
4-(4-methoxyphenyl)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119385919
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide
CID 110305545
N-cyclohexyl-3-(4-methoxyphenoxy)propanamide
CID 974927
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
4-(3-chlorophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]butanamide
CID 110625244
N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methoxyphenyl)propanamide
CID 42342863
1-cyclopentyl-4-(4-methoxyphenyl)butan-1-one
CID 113390085

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide (CID 110305405) is N-[2-(cyclohexylamino)-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide is COc1ccc(CCCCC(=O)NCC(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide?
The InChIKey is DOJGBTQKDCWJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-25-18-13-11-16(12-14-18)7-5-6-10-19(23)21-15-20(24)22-17-8-3-2-4-9-17/h11-14,17H,2-10,15H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide has a molecular weight of 346.47 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide is sourced from PubChem (CID 110305405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).