N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide

C18H26N2O2 — CID 9082220

IUPACN-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)NC1CCCCCC1
InChIInChI=1S/C18H26N2O2/c1-14-8-6-7-11-16(14)18(22)19-13-12-17(21)20-15-9-4-2-3-5-10-15/h6-8,11,15H,2-5,9-10,12-13H2,1H3,(H,19,22)(H,20,21)
InChIKeyRTGJSOZPLRNUPO-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.95
Rot. Bonds5

About N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide

N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide (PubChem CID 9082220) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide
PubChem CID9082220
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)NC1CCCCCC1
InChIInChI=1S/C18H26N2O2/c1-14-8-6-7-11-16(14)18(22)19-13-12-17(21)20-15-9-4-2-3-5-10-15/h6-8,11,15H,2-5,9-10,12-13H2,1H3,(H,19,22)(H,20,21)
InChIKeyRTGJSOZPLRNUPO-UHFFFAOYSA-N
XLogP2.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(cyclopentylamino)-2-oxoethyl]-2-methylbenzamide
CID 18106161
N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylfuran-3-carboxamide
CID 42780061
N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide
CID 51237421
N-[3-[(1-benzylpyrrolidin-3-yl)amino]-3-oxopropyl]-2-methylbenzamide
CID 24633033
N-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide
CID 108538982
N-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]-2-methylbenzamide
CID 24632581
N-[2-[1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 17030705
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191350
3-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-methylbenzamide
CID 79401552
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-[3-(cyclopentylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 86828824
phenyl N-[3-(cyclohexylamino)-3-oxopropyl]carbamate
CID 1131242

Frequently Asked Questions

What is the IUPAC name of N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide (CID 9082220) is N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCC(=O)NC1CCCCCC1.
What is the InChIKey of N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide?
The InChIKey is RTGJSOZPLRNUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14-8-6-7-11-16(14)18(22)19-13-12-17(21)20-15-9-4-2-3-5-10-15/h6-8,11,15H,2-5,9-10,12-13H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide?
N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide has a molecular weight of 302.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 9082220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).