N-[2-(cycloheptylamino)ethyl]-3-(2-methoxyphenyl)butanamide

C20H32N2O2 — CID 119619663

IUPACN-[2-(cycloheptylamino)ethyl]-3-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1C(C)CC(=O)NCCNC1CCCCCC1
InChIInChI=1S/C20H32N2O2/c1-16(18-11-7-8-12-19(18)24-2)15-20(23)22-14-13-21-17-9-5-3-4-6-10-17/h7-8,11-12,16-17,21H,3-6,9-10,13-15H2,1-2H3,(H,22,23)
InChIKeyPGKPSWAGYXLRMT-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.62
Rot. Bonds8

About N-[2-(cycloheptylamino)ethyl]-3-(2-methoxyphenyl)butanamide

N-[2-(cycloheptylamino)ethyl]-3-(2-methoxyphenyl)butanamide (PubChem CID 119619663) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-3-(2-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-3-(2-methoxyphenyl)butanamide
PubChem CID119619663
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-[2-(cycloheptylamino)ethyl]-3-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1C(C)CC(=O)NCCNC1CCCCCC1
InChIInChI=1S/C20H32N2O2/c1-16(18-11-7-8-12-19(18)24-2)15-20(23)22-14-13-21-17-9-5-3-4-6-10-17/h7-8,11-12,16-17,21H,3-6,9-10,13-15H2,1-2H3,(H,22,23)
InChIKeyPGKPSWAGYXLRMT-UHFFFAOYSA-N
XLogP3.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.62
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

N-(2-cyclobutyl-2-hydroxyethyl)-3-(2-methoxyphenyl)butanamide
CID 122152186
N-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide
CID 119382744
N-[2-(cycloheptylamino)ethyl]-2-methoxybenzamide
CID 81487134
N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride
CID 119495811
3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide
CID 119555918
3-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119510808
3-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]-3-(2-methylphenyl)propanamide
CID 119619279
3-(2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide
CID 119445732
N-[(3-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)butanamide
CID 111460021
N-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide
CID 119619869
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)butanamide
CID 119609890
N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyphenyl)butanamide;hydrochloride
CID 119547903

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-(2-methoxyphenyl)butanamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-(2-methoxyphenyl)butanamide (CID 119619663) is N-[2-(cycloheptylamino)ethyl]-3-(2-methoxyphenyl)butanamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-3-(2-methoxyphenyl)butanamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-3-(2-methoxyphenyl)butanamide is COc1ccccc1C(C)CC(=O)NCCNC1CCCCCC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-3-(2-methoxyphenyl)butanamide?
The InChIKey is PGKPSWAGYXLRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-16(18-11-7-8-12-19(18)24-2)15-20(23)22-14-13-21-17-9-5-3-4-6-10-17/h7-8,11-12,16-17,21H,3-6,9-10,13-15H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-3-(2-methoxyphenyl)butanamide?
N-[2-(cycloheptylamino)ethyl]-3-(2-methoxyphenyl)butanamide has a molecular weight of 332.49 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-3-(2-methoxyphenyl)butanamide is sourced from PubChem (CID 119619663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).