5-amino-N-[2-(diethylamino)-2-oxoethyl]-N,2,4-trimethylcyclohexane-1-carboxamide

C16H31N3O2 — CID 102706605

IUPAC5-amino-N-[2-(diethylamino)-2-oxoethyl]-N,2,4-trimethylcyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)C1CC(N)C(C)CC1C
InChIInChI=1S/C16H31N3O2/c1-6-19(7-2)15(20)10-18(5)16(21)13-9-14(17)12(4)8-11(13)3/h11-14H,6-10,17H2,1-5H3
InChIKeyQIJHMIJHICWGHX-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.32
Rot. Bonds5

About 5-amino-N-[2-(diethylamino)-2-oxoethyl]-N,2,4-trimethylcyclohexane-1-carboxamide

5-amino-N-[2-(diethylamino)-2-oxoethyl]-N,2,4-trimethylcyclohexane-1-carboxamide (PubChem CID 102706605) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 5-amino-N-[2-(diethylamino)-2-oxoethyl]-N,2,4-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(diethylamino)-2-oxoethyl]-N,2,4-trimethylcyclohexane-1-carboxamide
PubChem CID102706605
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name5-amino-N-[2-(diethylamino)-2-oxoethyl]-N,2,4-trimethylcyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)C1CC(N)C(C)CC1C
InChIInChI=1S/C16H31N3O2/c1-6-19(7-2)15(20)10-18(5)16(21)13-9-14(17)12(4)8-11(13)3/h11-14H,6-10,17H2,1-5H3
InChIKeyQIJHMIJHICWGHX-UHFFFAOYSA-N
XLogP1.32
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-amino-N-[2-(diethylamino)-2-oxoethyl]-N,2,4-trimethylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-(2-amino-2-oxoethyl)-N,2,4-trimethylcyclohexane-1-carboxamide
CID 102706526
5-amino-N,2,4-trimethyl-N-propylcyclohexane-1-carboxamide
CID 102706518
2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974465
5-amino-N,2,4-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 102706607
5-amino-N,2,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 102706568
5-amino-N,2,4-trimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 102706896
5-amino-N-(3-hydroxybutyl)-N,2,4-trimethylcyclohexane-1-carboxamide
CID 102706923
3-amino-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119686528
5-amino-N-butyl-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706594
5-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide
CID 102706894
5-amino-2,4-dimethyl-N-propan-2-yl-N-propylcyclohexane-1-carboxamide
CID 102706516
cis-(1R,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide
CID 121226955

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(diethylamino)-2-oxoethyl]-N,2,4-trimethylcyclohexane-1-carboxamide?
The IUPAC name of 5-amino-N-[2-(diethylamino)-2-oxoethyl]-N,2,4-trimethylcyclohexane-1-carboxamide (CID 102706605) is 5-amino-N-[2-(diethylamino)-2-oxoethyl]-N,2,4-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(diethylamino)-2-oxoethyl]-N,2,4-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-N-[2-(diethylamino)-2-oxoethyl]-N,2,4-trimethylcyclohexane-1-carboxamide is CCN(CC)C(=O)CN(C)C(=O)C1CC(N)C(C)CC1C.
What is the InChIKey of 5-amino-N-[2-(diethylamino)-2-oxoethyl]-N,2,4-trimethylcyclohexane-1-carboxamide?
The InChIKey is QIJHMIJHICWGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-6-19(7-2)15(20)10-18(5)16(21)13-9-14(17)12(4)8-11(13)3/h11-14H,6-10,17H2,1-5H3.
What are the key properties of 5-amino-N-[2-(diethylamino)-2-oxoethyl]-N,2,4-trimethylcyclohexane-1-carboxamide?
5-amino-N-[2-(diethylamino)-2-oxoethyl]-N,2,4-trimethylcyclohexane-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(diethylamino)-2-oxoethyl]-N,2,4-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102706605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).