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

C18H28N2O — CID 65083577

IUPAC2-[(4,4-dimethylcycloheptyl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1NC1CCCC(C)(C)CC1
InChIInChI=1S/C18H28N2O/c1-18(2)12-7-8-14(11-13-18)19-16-10-6-5-9-15(16)17(21)20(3)4/h5-6,9-10,14,19H,7-8,11-13H2,1-4H3
InChIKeyBMNMUWDQQRXEEG-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.16
Rot. Bonds3

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

2-[(4,4-dimethylcycloheptyl)amino]-N,N-dimethylbenzamide (PubChem CID 65083577) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[(4,4-dimethylcycloheptyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[(4,4-dimethylcycloheptyl)amino]-N,N-dimethylbenzamide
PubChem CID65083577
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-[(4,4-dimethylcycloheptyl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1NC1CCCC(C)(C)CC1
InChIInChI=1S/C18H28N2O/c1-18(2)12-7-8-14(11-13-18)19-16-10-6-5-9-15(16)17(21)20(3)4/h5-6,9-10,14,19H,7-8,11-13H2,1-4H3
InChIKeyBMNMUWDQQRXEEG-UHFFFAOYSA-N
XLogP4.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethylcycloheptyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 2-[(4,4-dimethylcycloheptyl)amino]-N,N-dimethylbenzamide (CID 65083577) is 2-[(4,4-dimethylcycloheptyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[(4,4-dimethylcycloheptyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[(4,4-dimethylcycloheptyl)amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccccc1NC1CCCC(C)(C)CC1.
What is the InChIKey of 2-[(4,4-dimethylcycloheptyl)amino]-N,N-dimethylbenzamide?
The InChIKey is BMNMUWDQQRXEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(2)12-7-8-14(11-13-18)19-16-10-6-5-9-15(16)17(21)20(3)4/h5-6,9-10,14,19H,7-8,11-13H2,1-4H3.
What are the key properties of 2-[(4,4-dimethylcycloheptyl)amino]-N,N-dimethylbenzamide?
2-[(4,4-dimethylcycloheptyl)amino]-N,N-dimethylbenzamide has a molecular weight of 288.44 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-dimethylcycloheptyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 65083577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).