1-amino-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride

C22H31Cl2N3O3 — CID 119852322

IUPAC1-amino-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCCCOc1ccccc1Oc1ncccc1CNC(=O)C1(N)CCCCC1.Cl.Cl
InChIInChI=1S/C22H29N3O3.2ClH/c1-2-15-27-18-10-4-5-11-19(18)28-20-17(9-8-14-24-20)16-25-21(26)22(23)12-6-3-7-13-22;;/h4-5,8-11,14H,2-3,6-7,12-13,15-16,23H2,1H3,(H,25,26);2*1H
InChIKeyOZVFYIJWCRMHNU-UHFFFAOYSA-N
MW456.41 g/mol
LogP4.78
Rot. Bonds8

About 1-amino-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride

1-amino-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119852322) has the molecular formula C22H31Cl2N3O3 and a molecular weight of 456.41 g/mol. Its IUPAC name is 1-amino-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119852322
Molecular FormulaC22H31Cl2N3O3
Molecular Weight456.41 g/mol
Exact Mass455.17
IUPAC Name1-amino-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCCCOc1ccccc1Oc1ncccc1CNC(=O)C1(N)CCCCC1.Cl.Cl
InChIInChI=1S/C22H29N3O3.2ClH/c1-2-15-27-18-10-4-5-11-19(18)28-20-17(9-8-14-24-20)16-25-21(26)22(23)12-6-3-7-13-22;;/h4-5,8-11,14H,2-3,6-7,12-13,15-16,23H2,1H3,(H,25,26);2*1H
InChIKeyOZVFYIJWCRMHNU-UHFFFAOYSA-N
XLogP4.78
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.41
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-amino-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride with MolForge

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Related Compounds

3-amino-2-methyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide
CID 120503036
(2S)-2-amino-3,3-dimethyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide
CID 119852317
2-methyl-3-(methylamino)-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]propanamide;dihydrochloride
CID 119852318
2,2-dichloro-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 78891138
2,2,2-trifluoroethyl N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]carbamate
CID 166187966
1-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119864986
1-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120549457
1-amino-N-[(2-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119331950
N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119852337
1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 65464946
1-benzyl-2-methyl-3-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]guanidine
CID 110952764
1-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119275621

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119852322) is 1-amino-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride is CCCOc1ccccc1Oc1ncccc1CNC(=O)C1(N)CCCCC1.Cl.Cl.
What is the InChIKey of 1-amino-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is OZVFYIJWCRMHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3.2ClH/c1-2-15-27-18-10-4-5-11-19(18)28-20-17(9-8-14-24-20)16-25-21(26)22(23)12-6-3-7-13-22;;/h4-5,8-11,14H,2-3,6-7,12-13,15-16,23H2,1H3,(H,25,26);2*1H.
What are the key properties of 1-amino-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
1-amino-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 456.41 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119852322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).