N-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide

C19H28N2O3 — CID 113056703

IUPACN-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCN(C(C)=O)C2CCCCCC2)c1
InChIInChI=1S/C19H28N2O3/c1-15(22)21(17-9-5-3-4-6-10-17)13-12-20-19(23)16-8-7-11-18(14-16)24-2/h7-8,11,14,17H,3-6,9-10,12-13H2,1-2H3,(H,20,23)
InChIKeyPUUGKWOWPVFZMJ-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.00
Rot. Bonds6

About N-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide

N-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide (PubChem CID 113056703) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide
PubChem CID113056703
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCN(C(C)=O)C2CCCCCC2)c1
InChIInChI=1S/C19H28N2O3/c1-15(22)21(17-9-5-3-4-6-10-17)13-12-20-19(23)16-8-7-11-18(14-16)24-2/h7-8,11,14,17H,3-6,9-10,12-13H2,1-2H3,(H,20,23)
InChIKeyPUUGKWOWPVFZMJ-UHFFFAOYSA-N
XLogP3.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl(cyclohexyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 113052925
N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
CID 134039540
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113056718
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113052939
N-[2-[acetyl(cycloheptyl)amino]ethyl]-3,4-dichlorobenzamide
CID 113056706
N-[2-[acetyl(pentyl)amino]ethyl]-3-methoxybenzamide
CID 113056954
N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
CID 17226027
methyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate
CID 80717814
N-[2-[acetyl(cyclopropyl)amino]ethyl]-3-chlorobenzamide
CID 113052148
N-[2-[acetyl(cyclohexyl)amino]ethyl]-4-methylbenzamide
CID 113052915
N-[2-[acetyl(cyclopropyl)amino]ethyl]-3,4-dimethoxybenzamide
CID 113052128
N-(3-aminopropyl)-N-cyclohexyl-3-methoxybenzamide
CID 43319405

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide (CID 113056703) is N-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCN(C(C)=O)C2CCCCCC2)c1.
What is the InChIKey of N-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide?
The InChIKey is PUUGKWOWPVFZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-15(22)21(17-9-5-3-4-6-10-17)13-12-20-19(23)16-8-7-11-18(14-16)24-2/h7-8,11,14,17H,3-6,9-10,12-13H2,1-2H3,(H,20,23).
What are the key properties of N-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide?
N-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide has a molecular weight of 332.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide is sourced from PubChem (CID 113056703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).