2-methyl-3-(methylamino)-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]propanamide;dihydrochloride

C20H29Cl2N3O3 — CID 119852318

IUPAC2-methyl-3-(methylamino)-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]propanamide;dihydrochloride
SMILESCCCOc1ccccc1Oc1ncccc1CNC(=O)C(C)CNC.Cl.Cl
InChIInChI=1S/C20H27N3O3.2ClH/c1-4-12-25-17-9-5-6-10-18(17)26-20-16(8-7-11-22-20)14-23-19(24)15(2)13-21-3;;/h5-11,15,21H,4,12-14H2,1-3H3,(H,23,24);2*1H
InChIKeyMSJOQVWPHYWYNP-UHFFFAOYSA-N
MW430.38 g/mol
LogP3.98
Rot. Bonds10

About 2-methyl-3-(methylamino)-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]propanamide;dihydrochloride

2-methyl-3-(methylamino)-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]propanamide;dihydrochloride (PubChem CID 119852318) has the molecular formula C20H29Cl2N3O3 and a molecular weight of 430.38 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]propanamide;dihydrochloride
PubChem CID119852318
Molecular FormulaC20H29Cl2N3O3
Molecular Weight430.38 g/mol
Exact Mass429.16
IUPAC Name2-methyl-3-(methylamino)-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]propanamide;dihydrochloride
SMILESCCCOc1ccccc1Oc1ncccc1CNC(=O)C(C)CNC.Cl.Cl
InChIInChI=1S/C20H27N3O3.2ClH/c1-4-12-25-17-9-5-6-10-18(17)26-20-16(8-7-11-22-20)14-23-19(24)15(2)13-21-3;;/h5-11,15,21H,4,12-14H2,1-3H3,(H,23,24);2*1H
InChIKeyMSJOQVWPHYWYNP-UHFFFAOYSA-N
XLogP3.98
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 79196113
2,2,2-trifluoroethyl N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]carbamate
CID 166187966
1-amino-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119852322
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119847855
2,2-dichloro-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 78891138
1-benzyl-2-methyl-3-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]guanidine
CID 110952764
N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119852337
(2S)-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]butanamide
CID 95206608
(2S)-3,3,3-trifluoro-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide
CID 95208041
(2S)-3-(dimethylamino)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropanamide
CID 95394220

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]propanamide;dihydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]propanamide;dihydrochloride (CID 119852318) is 2-methyl-3-(methylamino)-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]propanamide;dihydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]propanamide;dihydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]propanamide;dihydrochloride is CCCOc1ccccc1Oc1ncccc1CNC(=O)C(C)CNC.Cl.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]propanamide;dihydrochloride?
The InChIKey is MSJOQVWPHYWYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3.2ClH/c1-4-12-25-17-9-5-6-10-18(17)26-20-16(8-7-11-22-20)14-23-19(24)15(2)13-21-3;;/h5-11,15,21H,4,12-14H2,1-3H3,(H,23,24);2*1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]propanamide;dihydrochloride?
2-methyl-3-(methylamino)-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]propanamide;dihydrochloride has a molecular weight of 430.38 g/mol, XLogP of 3.98, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]propanamide;dihydrochloride is sourced from PubChem (CID 119852318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).