4-amino-2-(3,5-dimethylcyclohexyl)oxy-N,N-dimethylbenzamide

C17H26N2O2 — CID 64730373

IUPAC4-amino-2-(3,5-dimethylcyclohexyl)oxy-N,N-dimethylbenzamide
SMILESCC1CC(C)CC(Oc2cc(N)ccc2C(=O)N(C)C)C1
InChIInChI=1S/C17H26N2O2/c1-11-7-12(2)9-14(8-11)21-16-10-13(18)5-6-15(16)17(20)19(3)4/h5-6,10-12,14H,7-9,18H2,1-4H3
InChIKeyWQWKICXZCWXACQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.17
Rot. Bonds3

About 4-amino-2-(3,5-dimethylcyclohexyl)oxy-N,N-dimethylbenzamide

4-amino-2-(3,5-dimethylcyclohexyl)oxy-N,N-dimethylbenzamide (PubChem CID 64730373) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-amino-2-(3,5-dimethylcyclohexyl)oxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-2-(3,5-dimethylcyclohexyl)oxy-N,N-dimethylbenzamide
PubChem CID64730373
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-amino-2-(3,5-dimethylcyclohexyl)oxy-N,N-dimethylbenzamide
SMILESCC1CC(C)CC(Oc2cc(N)ccc2C(=O)N(C)C)C1
InChIInChI=1S/C17H26N2O2/c1-11-7-12(2)9-14(8-11)21-16-10-13(18)5-6-15(16)17(20)19(3)4/h5-6,10-12,14H,7-9,18H2,1-4H3
InChIKeyWQWKICXZCWXACQ-UHFFFAOYSA-N
XLogP3.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-2-(3,5-dimethylcyclohexyl)oxy-N,N-dimethylbenzamide 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

1-[2-amino-4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanone
CID 104529359
4-amino-2-(3,4-dimethylcyclohexyl)oxy-N-methylbenzamide
CID 64746879
4-amino-2-(3,3-dimethylbutoxy)-N,N-dimethylbenzamide
CID 66233795
4-amino-2-methoxy-N-(3-methylcyclobutyl)benzamide
CID 113467050
1-[5-amino-2-(3-methylcyclohexyl)oxyphenyl]ethanone
CID 116541096
5-amino-2-(cyclopropylmethoxy)-N,N-dimethylbenzamide
CID 134821730
methyl 4-amino-2-(3-methoxycyclohexyl)oxybenzoate
CID 106955060
2-bromo-4-(3,5-dimethylcyclohexyl)oxy-3-fluorobenzoic acid
CID 107540745
4-amino-2-(4-ethylcyclohexyl)oxybenzoic acid
CID 106954895
4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N,N-dimethylbenzamide
CID 103176836
N,N-dimethyl-2-(1-methylazetidin-3-yl)oxy-4-phenylbenzamide;ethane
CID 123156478
4-amino-2-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylbenzamide
CID 116800326

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3,5-dimethylcyclohexyl)oxy-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-2-(3,5-dimethylcyclohexyl)oxy-N,N-dimethylbenzamide (CID 64730373) is 4-amino-2-(3,5-dimethylcyclohexyl)oxy-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-2-(3,5-dimethylcyclohexyl)oxy-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-2-(3,5-dimethylcyclohexyl)oxy-N,N-dimethylbenzamide is CC1CC(C)CC(Oc2cc(N)ccc2C(=O)N(C)C)C1.
What is the InChIKey of 4-amino-2-(3,5-dimethylcyclohexyl)oxy-N,N-dimethylbenzamide?
The InChIKey is WQWKICXZCWXACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11-7-12(2)9-14(8-11)21-16-10-13(18)5-6-15(16)17(20)19(3)4/h5-6,10-12,14H,7-9,18H2,1-4H3.
What are the key properties of 4-amino-2-(3,5-dimethylcyclohexyl)oxy-N,N-dimethylbenzamide?
4-amino-2-(3,5-dimethylcyclohexyl)oxy-N,N-dimethylbenzamide has a molecular weight of 290.41 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3,5-dimethylcyclohexyl)oxy-N,N-dimethylbenzamide is sourced from PubChem (CID 64730373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).