1-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide

C18H29N3O2 — CID 119845701

IUPAC1-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide
SMILESCN(C)CCOc1ccc(CNC(=O)C2(N)CCCCC2)cc1
InChIInChI=1S/C18H29N3O2/c1-21(2)12-13-23-16-8-6-15(7-9-16)14-20-17(22)18(19)10-4-3-5-11-18/h6-9H,3-5,10-14,19H2,1-2H3,(H,20,22)
InChIKeyWCGXMLWTOUNWOV-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.90
Rot. Bonds7

About 1-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide

1-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide (PubChem CID 119845701) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide
PubChem CID119845701
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide
SMILESCN(C)CCOc1ccc(CNC(=O)C2(N)CCCCC2)cc1
InChIInChI=1S/C18H29N3O2/c1-21(2)12-13-23-16-8-6-15(7-9-16)14-20-17(22)18(19)10-4-3-5-11-18/h6-9H,3-5,10-14,19H2,1-2H3,(H,20,22)
InChIKeyWCGXMLWTOUNWOV-UHFFFAOYSA-N
XLogP1.90
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119864986
4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride
CID 119881589
1-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119283171
1-amino-N-[[4-(dimethylamino)phenyl]methyl]cyclobutane-1-carboxamide
CID 81171925
3-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylbutanamide;dihydrochloride
CID 120502855
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,5-dimethyladamantane-1-carboxamide
CID 112843362
1-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119276278
2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide
CID 83332704
4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136982
2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 20993633
1-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 119875616
1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
CID 119302836

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide (CID 119845701) is 1-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide is CN(C)CCOc1ccc(CNC(=O)C2(N)CCCCC2)cc1.
What is the InChIKey of 1-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is WCGXMLWTOUNWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-21(2)12-13-23-16-8-6-15(7-9-16)14-20-17(22)18(19)10-4-3-5-11-18/h6-9H,3-5,10-14,19H2,1-2H3,(H,20,22).
What are the key properties of 1-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide?
1-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119845701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).