1-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclohexane-1-carboxamide

C19H30N2O3 — CID 119320138

IUPAC1-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C(C)(C)CNC(=O)C2(N)CCCCC2)cc1OC
InChIInChI=1S/C19H30N2O3/c1-18(2,14-8-9-15(23-3)16(12-14)24-4)13-21-17(22)19(20)10-6-5-7-11-19/h8-9,12H,5-7,10-11,13,20H2,1-4H3,(H,21,22)
InChIKeySABRHRSVOYYMQX-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.76
Rot. Bonds6

About 1-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclohexane-1-carboxamide

1-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclohexane-1-carboxamide (PubChem CID 119320138) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclohexane-1-carboxamide
PubChem CID119320138
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name1-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C(C)(C)CNC(=O)C2(N)CCCCC2)cc1OC
InChIInChI=1S/C19H30N2O3/c1-18(2,14-8-9-15(23-3)16(12-14)24-4)13-21-17(22)19(20)10-6-5-7-11-19/h8-9,12H,5-7,10-11,13,20H2,1-4H3,(H,21,22)
InChIKeySABRHRSVOYYMQX-UHFFFAOYSA-N
XLogP2.76
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[(3,4-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119263568
1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119263106
1-hydroxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide
CID 111102357
1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
CID 113213805
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenylpropanamide
CID 120591873
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide
CID 119945325
3-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride
CID 119777599
2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide
CID 110441966
1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119279781
1-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 119319826
1-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 65466544
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenoxyacetamide
CID 110442244

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclohexane-1-carboxamide (CID 119320138) is 1-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclohexane-1-carboxamide is COc1ccc(C(C)(C)CNC(=O)C2(N)CCCCC2)cc1OC.
What is the InChIKey of 1-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclohexane-1-carboxamide?
The InChIKey is SABRHRSVOYYMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-18(2,14-8-9-15(23-3)16(12-14)24-4)13-21-17(22)19(20)10-6-5-7-11-19/h8-9,12H,5-7,10-11,13,20H2,1-4H3,(H,21,22).
What are the key properties of 1-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclohexane-1-carboxamide?
1-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclohexane-1-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119320138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).