1-[1-(dimethylamino)propyl]-N-methyl-2-phenylcyclohexane-1-carboxamide

C19H30N2O — CID 70492809

IUPAC1-[1-(dimethylamino)propyl]-N-methyl-2-phenylcyclohexane-1-carboxamide
SMILESCCC(N(C)C)C1(C(=O)NC)CCCCC1c1ccccc1
InChIInChI=1S/C19H30N2O/c1-5-17(21(3)4)19(18(22)20-2)14-10-9-13-16(19)15-11-7-6-8-12-15/h6-8,11-12,16-17H,5,9-10,13-14H2,1-4H3,(H,20,22)
InChIKeyOHSBXFVWPWDJKW-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.42
Rot. Bonds5

About 1-[1-(dimethylamino)propyl]-N-methyl-2-phenylcyclohexane-1-carboxamide

1-[1-(dimethylamino)propyl]-N-methyl-2-phenylcyclohexane-1-carboxamide (PubChem CID 70492809) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-[1-(dimethylamino)propyl]-N-methyl-2-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[1-(dimethylamino)propyl]-N-methyl-2-phenylcyclohexane-1-carboxamide
PubChem CID70492809
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-[1-(dimethylamino)propyl]-N-methyl-2-phenylcyclohexane-1-carboxamide
SMILESCCC(N(C)C)C1(C(=O)NC)CCCCC1c1ccccc1
InChIInChI=1S/C19H30N2O/c1-5-17(21(3)4)19(18(22)20-2)14-10-9-13-16(19)15-11-7-6-8-12-15/h6-8,11-12,16-17H,5,9-10,13-14H2,1-4H3,(H,20,22)
InChIKeyOHSBXFVWPWDJKW-UHFFFAOYSA-N
XLogP3.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)propyl]-N-methyl-2-phenylcyclohexane-1-carboxamide?
The IUPAC name of 1-[1-(dimethylamino)propyl]-N-methyl-2-phenylcyclohexane-1-carboxamide (CID 70492809) is 1-[1-(dimethylamino)propyl]-N-methyl-2-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[1-(dimethylamino)propyl]-N-methyl-2-phenylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[1-(dimethylamino)propyl]-N-methyl-2-phenylcyclohexane-1-carboxamide is CCC(N(C)C)C1(C(=O)NC)CCCCC1c1ccccc1.
What is the InChIKey of 1-[1-(dimethylamino)propyl]-N-methyl-2-phenylcyclohexane-1-carboxamide?
The InChIKey is OHSBXFVWPWDJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-5-17(21(3)4)19(18(22)20-2)14-10-9-13-16(19)15-11-7-6-8-12-15/h6-8,11-12,16-17H,5,9-10,13-14H2,1-4H3,(H,20,22).
What are the key properties of 1-[1-(dimethylamino)propyl]-N-methyl-2-phenylcyclohexane-1-carboxamide?
1-[1-(dimethylamino)propyl]-N-methyl-2-phenylcyclohexane-1-carboxamide has a molecular weight of 302.46 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)propyl]-N-methyl-2-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 70492809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).