3-amino-2-methyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide

C20H27N3O3 — CID 120503036

IUPAC3-amino-2-methyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide
SMILESCCCOc1ccccc1Oc1ncccc1CNC(=O)C(C)C(C)N
InChIInChI=1S/C20H27N3O3/c1-4-12-25-17-9-5-6-10-18(17)26-20-16(8-7-11-22-20)13-23-19(24)14(2)15(3)21/h5-11,14-15H,4,12-13,21H2,1-3H3,(H,23,24)
InChIKeyCRCURWWPFAYTBD-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.26
Rot. Bonds9

About 3-amino-2-methyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide

3-amino-2-methyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide (PubChem CID 120503036) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide
PubChem CID120503036
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name3-amino-2-methyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide
SMILESCCCOc1ccccc1Oc1ncccc1CNC(=O)C(C)C(C)N
InChIInChI=1S/C20H27N3O3/c1-4-12-25-17-9-5-6-10-18(17)26-20-16(8-7-11-22-20)13-23-19(24)14(2)15(3)21/h5-11,14-15H,4,12-13,21H2,1-3H3,(H,23,24)
InChIKeyCRCURWWPFAYTBD-UHFFFAOYSA-N
XLogP3.26
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(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
2,2,2-trifluoroethyl N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]carbamate
CID 166187966
2,2-dichloro-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 78891138
1-amino-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119852322
N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119852337
(2S)-2-amino-4-methyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pentanamide
CID 119857037
(2S)-2-amino-3-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide
CID 56741172
1-benzyl-2-methyl-3-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]guanidine
CID 110952764
(2S)-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]butanamide
CID 95206608
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]guanidine
CID 111406229
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]acetamide
CID 42198309

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide?
The IUPAC name of 3-amino-2-methyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide (CID 120503036) is 3-amino-2-methyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide?
The canonical SMILES for 3-amino-2-methyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide is CCCOc1ccccc1Oc1ncccc1CNC(=O)C(C)C(C)N.
What is the InChIKey of 3-amino-2-methyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide?
The InChIKey is CRCURWWPFAYTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-4-12-25-17-9-5-6-10-18(17)26-20-16(8-7-11-22-20)13-23-19(24)14(2)15(3)21/h5-11,14-15H,4,12-13,21H2,1-3H3,(H,23,24).
What are the key properties of 3-amino-2-methyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide?
3-amino-2-methyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide has a molecular weight of 357.45 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide is sourced from PubChem (CID 120503036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).