3-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylcyclohexane-1-carboxamide

C19H30N2O4 — CID 119820809

IUPAC3-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylcyclohexane-1-carboxamide
SMILESCOc1cc(OC)cc(OCCCN(C)C(=O)C2CCCC(N)C2)c1
InChIInChI=1S/C19H30N2O4/c1-21(19(22)14-6-4-7-15(20)10-14)8-5-9-25-18-12-16(23-2)11-17(13-18)24-3/h11-15H,4-10,20H2,1-3H3
InChIKeyGGVHQQPUMNRLPW-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.45
Rot. Bonds8

About 3-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylcyclohexane-1-carboxamide

3-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylcyclohexane-1-carboxamide (PubChem CID 119820809) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylcyclohexane-1-carboxamide
PubChem CID119820809
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Name3-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylcyclohexane-1-carboxamide
SMILESCOc1cc(OC)cc(OCCCN(C)C(=O)C2CCCC(N)C2)c1
InChIInChI=1S/C19H30N2O4/c1-21(19(22)14-6-4-7-15(20)10-14)8-5-9-25-18-12-16(23-2)11-17(13-18)24-3/h11-15H,4-10,20H2,1-3H3
InChIKeyGGVHQQPUMNRLPW-UHFFFAOYSA-N
XLogP2.45
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119731934
3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119753738
trans-(1R,3R)-3-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 97123271
cis-(1S,3R)-3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 97123264
N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119820838
3-amino-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62778074
N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpiperidine-2-carboxamide
CID 119344771
cis-(1S,3R)-3-hydroxy-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide
CID 91777791
3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119753734
3-amino-N-methyl-N-(4-phenylbutyl)cyclohexane-1-carboxamide;hydrochloride
CID 119733701
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119695438
3-[(3-aminocyclohexanecarbonyl)-methylamino]propanoic acid
CID 63046966

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylcyclohexane-1-carboxamide (CID 119820809) is 3-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylcyclohexane-1-carboxamide is COc1cc(OC)cc(OCCCN(C)C(=O)C2CCCC(N)C2)c1.
What is the InChIKey of 3-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is GGVHQQPUMNRLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-21(19(22)14-6-4-7-15(20)10-14)8-5-9-25-18-12-16(23-2)11-17(13-18)24-3/h11-15H,4-10,20H2,1-3H3.
What are the key properties of 3-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylcyclohexane-1-carboxamide?
3-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 119820809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).