3-[(4,4-dimethylcycloheptyl)amino]-N,2-dimethylbenzamide

C18H28N2O — CID 65083034

IUPAC3-[(4,4-dimethylcycloheptyl)amino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NC2CCCC(C)(C)CC2)c1C
InChIInChI=1S/C18H28N2O/c1-13-15(17(21)19-4)8-5-9-16(13)20-14-7-6-11-18(2,3)12-10-14/h5,8-9,14,20H,6-7,10-12H2,1-4H3,(H,19,21)
InChIKeyQGVRVQCOOFHNMZ-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.13
Rot. Bonds3

About 3-[(4,4-dimethylcycloheptyl)amino]-N,2-dimethylbenzamide

3-[(4,4-dimethylcycloheptyl)amino]-N,2-dimethylbenzamide (PubChem CID 65083034) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-[(4,4-dimethylcycloheptyl)amino]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-[(4,4-dimethylcycloheptyl)amino]-N,2-dimethylbenzamide
PubChem CID65083034
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-[(4,4-dimethylcycloheptyl)amino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NC2CCCC(C)(C)CC2)c1C
InChIInChI=1S/C18H28N2O/c1-13-15(17(21)19-4)8-5-9-16(13)20-14-7-6-11-18(2,3)12-10-14/h5,8-9,14,20H,6-7,10-12H2,1-4H3,(H,19,21)
InChIKeyQGVRVQCOOFHNMZ-UHFFFAOYSA-N
XLogP4.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-3-[(1-methylpiperidin-4-yl)amino]benzamide
CID 43734523
3-[(3-cyclopropylcyclohexyl)amino]-N,2-dimethylbenzamide
CID 64596426
methyl 2-[(4,4-dimethylcycloheptyl)amino]benzoate
CID 65084413
2-[(4,4-dimethylcycloheptyl)amino]-N,N-dimethylbenzamide
CID 65083577
3-(cyclohexylamino)-2-methylbenzoic acid
CID 43737301
2-chloro-5-[(4,4-dimethylcycloheptyl)amino]-N-methylbenzamide
CID 65083154
3-[(3-ethoxycyclobutyl)amino]-N,2-dimethylbenzamide
CID 112561851
N,2-dimethyl-3-[(2-methylthian-3-yl)amino]benzamide
CID 79957935
N,2-dimethyl-3-[(2-methylthiolan-3-yl)amino]benzamide
CID 102670996
3-(1-cyclobutylpropan-2-ylamino)-N,2-dimethylbenzamide
CID 115916570
3-(1-cyclopropylethylamino)-N,2-dimethylbenzamide
CID 43734592
3-[(2,2-dimethylcyclopentyl)amino]-2-methylbenzamide
CID 79860471

Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-dimethylcycloheptyl)amino]-N,2-dimethylbenzamide?
The IUPAC name of 3-[(4,4-dimethylcycloheptyl)amino]-N,2-dimethylbenzamide (CID 65083034) is 3-[(4,4-dimethylcycloheptyl)amino]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-[(4,4-dimethylcycloheptyl)amino]-N,2-dimethylbenzamide?
The canonical SMILES for 3-[(4,4-dimethylcycloheptyl)amino]-N,2-dimethylbenzamide is CNC(=O)c1cccc(NC2CCCC(C)(C)CC2)c1C.
What is the InChIKey of 3-[(4,4-dimethylcycloheptyl)amino]-N,2-dimethylbenzamide?
The InChIKey is QGVRVQCOOFHNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-15(17(21)19-4)8-5-9-16(13)20-14-7-6-11-18(2,3)12-10-14/h5,8-9,14,20H,6-7,10-12H2,1-4H3,(H,19,21).
What are the key properties of 3-[(4,4-dimethylcycloheptyl)amino]-N,2-dimethylbenzamide?
3-[(4,4-dimethylcycloheptyl)amino]-N,2-dimethylbenzamide has a molecular weight of 288.44 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-dimethylcycloheptyl)amino]-N,2-dimethylbenzamide is sourced from PubChem (CID 65083034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).