2-amino-N-[3-(dimethylamino)cyclohexyl]-2-phenylpropanamide

C17H27N3O — CID 120597033

IUPAC2-amino-N-[3-(dimethylamino)cyclohexyl]-2-phenylpropanamide
SMILESCN(C)C1CCCC(NC(=O)C(C)(N)c2ccccc2)C1
InChIInChI=1S/C17H27N3O/c1-17(18,13-8-5-4-6-9-13)16(21)19-14-10-7-11-15(12-14)20(2)3/h4-6,8-9,14-15H,7,10-12,18H2,1-3H3,(H,19,21)
InChIKeyGMODHENLQFYIOO-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.85
Rot. Bonds4

About 2-amino-N-[3-(dimethylamino)cyclohexyl]-2-phenylpropanamide

2-amino-N-[3-(dimethylamino)cyclohexyl]-2-phenylpropanamide (PubChem CID 120597033) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-amino-N-[3-(dimethylamino)cyclohexyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[3-(dimethylamino)cyclohexyl]-2-phenylpropanamide
PubChem CID120597033
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-amino-N-[3-(dimethylamino)cyclohexyl]-2-phenylpropanamide
SMILESCN(C)C1CCCC(NC(=O)C(C)(N)c2ccccc2)C1
InChIInChI=1S/C17H27N3O/c1-17(18,13-8-5-4-6-9-13)16(21)19-14-10-7-11-15(12-14)20(2)3/h4-6,8-9,14-15H,7,10-12,18H2,1-3H3,(H,19,21)
InChIKeyGMODHENLQFYIOO-UHFFFAOYSA-N
XLogP1.85
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(dimethylamino)cyclohexyl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[3-(dimethylamino)cyclohexyl]-2-phenylpropanamide (CID 120597033) is 2-amino-N-[3-(dimethylamino)cyclohexyl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[3-(dimethylamino)cyclohexyl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[3-(dimethylamino)cyclohexyl]-2-phenylpropanamide is CN(C)C1CCCC(NC(=O)C(C)(N)c2ccccc2)C1.
What is the InChIKey of 2-amino-N-[3-(dimethylamino)cyclohexyl]-2-phenylpropanamide?
The InChIKey is GMODHENLQFYIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(18,13-8-5-4-6-9-13)16(21)19-14-10-7-11-15(12-14)20(2)3/h4-6,8-9,14-15H,7,10-12,18H2,1-3H3,(H,19,21).
What are the key properties of 2-amino-N-[3-(dimethylamino)cyclohexyl]-2-phenylpropanamide?
2-amino-N-[3-(dimethylamino)cyclohexyl]-2-phenylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(dimethylamino)cyclohexyl]-2-phenylpropanamide is sourced from PubChem (CID 120597033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).