N-[2-(cycloheptylamino)-2-oxoethyl]-4-methylbenzamide

C17H24N2O2 — CID 6460372

IUPACN-[2-(cycloheptylamino)-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C17H24N2O2/c1-13-8-10-14(11-9-13)17(21)18-12-16(20)19-15-6-4-2-3-5-7-15/h8-11,15H,2-7,12H2,1H3,(H,18,21)(H,19,20)
InChIKeyQGPORUNKAODZSH-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.56
Rot. Bonds4

About N-[2-(cycloheptylamino)-2-oxoethyl]-4-methylbenzamide

N-[2-(cycloheptylamino)-2-oxoethyl]-4-methylbenzamide (PubChem CID 6460372) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)-2-oxoethyl]-4-methylbenzamide
PubChem CID6460372
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[2-(cycloheptylamino)-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C17H24N2O2/c1-13-8-10-14(11-9-13)17(21)18-12-16(20)19-15-6-4-2-3-5-7-15/h8-11,15H,2-7,12H2,1H3,(H,18,21)(H,19,20)
InChIKeyQGPORUNKAODZSH-UHFFFAOYSA-N
XLogP2.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Procarbazine
CID 4915
Procarbazine Hydrochloride
CID 9703
N-Propylbenzamide
CID 25354
N-Ethylbenzamide
CID 11959
N-Butylbenzamide
CID 76024
1-Benzoylpiperazine
CID 762654
4-methyl-N-(2-phenylethyl)benzamide
CID 723105
4-Formyl-N-(1-methylethyl)benzamide
CID 83270
N-Isopropylbenzamide
CID 79503
N-(2-Methylpropyl)benzamide
CID 95140
ChiRYun
CID 389617
N-4-Piperidylbenzamide
CID 118120

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-(cycloheptylamino)-2-oxoethyl]-4-methylbenzamide (CID 6460372) is N-[2-(cycloheptylamino)-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(cycloheptylamino)-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(cycloheptylamino)-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(=O)NC2CCCCCC2)cc1.
What is the InChIKey of N-[2-(cycloheptylamino)-2-oxoethyl]-4-methylbenzamide?
The InChIKey is QGPORUNKAODZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13-8-10-14(11-9-13)17(21)18-12-16(20)19-15-6-4-2-3-5-7-15/h8-11,15H,2-7,12H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(cycloheptylamino)-2-oxoethyl]-4-methylbenzamide?
N-[2-(cycloheptylamino)-2-oxoethyl]-4-methylbenzamide has a molecular weight of 288.39 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 6460372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).