(2S)-2-amino-N-[(5,6-dimethyl-2-pyridinyl)methyl]-N-(2-ethoxy-3-methoxypropyl)-3-(4-methoxy-2,6-dimethylphenyl)propanamide

C26H39N3O4 — CID 118176419

IUPAC(2S)-2-amino-N-[(5,6-dimethyl-2-pyridinyl)methyl]-N-(2-ethoxy-3-methoxypropyl)-3-(4-methoxy-2,6-dimethylphenyl)propanamide
SMILESCCOC(COC)CN(Cc1ccc(C)c(C)n1)C(=O)[C@@H](N)Cc1c(C)cc(OC)cc1C
InChIInChI=1S/C26H39N3O4/c1-8-33-23(16-31-6)15-29(14-21-10-9-17(2)20(5)28-21)26(30)25(27)13-24-18(3)11-22(32-7)12-19(24)4/h9-12,23,25H,8,13-16,27H2,1-7H3/t23?,25-/m0/s1
InChIKeyXIDVWFNNOQOLFD-YNMFNDETSA-N
MW457.62 g/mol
LogP3.27
Rot. Bonds12

About (2S)-2-amino-N-[(5,6-dimethyl-2-pyridinyl)methyl]-N-(2-ethoxy-3-methoxypropyl)-3-(4-methoxy-2,6-dimethylphenyl)propanamide

(2S)-2-amino-N-[(5,6-dimethyl-2-pyridinyl)methyl]-N-(2-ethoxy-3-methoxypropyl)-3-(4-methoxy-2,6-dimethylphenyl)propanamide (PubChem CID 118176419) has the molecular formula C26H39N3O4 and a molecular weight of 457.62 g/mol. Its IUPAC name is (2S)-2-amino-N-[(5,6-dimethyl-2-pyridinyl)methyl]-N-(2-ethoxy-3-methoxypropyl)-3-(4-methoxy-2,6-dimethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(5,6-dimethyl-2-pyridinyl)methyl]-N-(2-ethoxy-3-methoxypropyl)-3-(4-methoxy-2,6-dimethylphenyl)propanamide
PubChem CID118176419
Molecular FormulaC26H39N3O4
Molecular Weight457.62 g/mol
Exact Mass457.29
IUPAC Name(2S)-2-amino-N-[(5,6-dimethyl-2-pyridinyl)methyl]-N-(2-ethoxy-3-methoxypropyl)-3-(4-methoxy-2,6-dimethylphenyl)propanamide
SMILESCCOC(COC)CN(Cc1ccc(C)c(C)n1)C(=O)[C@@H](N)Cc1c(C)cc(OC)cc1C
InChIInChI=1S/C26H39N3O4/c1-8-33-23(16-31-6)15-29(14-21-10-9-17(2)20(5)28-21)26(30)25(27)13-24-18(3)11-22(32-7)12-19(24)4/h9-12,23,25H,8,13-16,27H2,1-7H3/t23?,25-/m0/s1
InChIKeyXIDVWFNNOQOLFD-YNMFNDETSA-N
XLogP3.27
TPSA86.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-amino-N-[(5,6-dimethyl-2-pyridinyl)methyl]-N-(2-ethoxy-3-methoxypropyl)-3-(4-methoxy-2,6-dimethylphenyl)propanamide with MolForge

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Related Compounds

(2R)-2-amino-3-(4-methoxy-2,6-dimethylphenyl)-N-methyl-N-phenylpropanamide
CID 54006663
1-(4-methoxy-2,6-dimethylphenyl)butan-2-amine
CID 82255191
2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
CID 120983852
(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide
CID 93372926
2-amino-3-methoxy-N-(5-methoxy-2-methylphenyl)propanamide
CID 114252735
[4-[(2S)-2-amino-3-(N-methylanilino)-3-oxopropyl]-3-chloro-5-methylphenyl] methyl carbonate
CID 54415688
(4-methoxy-2,6-dimethylphenyl)methanamine
CID 82266532
ethyl 4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]butanoate
CID 82893296
1-(2-amino-3-methoxypropyl)-3-(4-methoxyphenyl)-1-methylurea
CID 63765403
2-amino-3-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]propan-1-ol
CID 115120748
ethyl (3S)-3-amino-2-fluoro-3-(4-methoxy-2-methylphenyl)propanoate
CID 171250977
(2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
CID 79024598

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(5,6-dimethyl-2-pyridinyl)methyl]-N-(2-ethoxy-3-methoxypropyl)-3-(4-methoxy-2,6-dimethylphenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-[(5,6-dimethyl-2-pyridinyl)methyl]-N-(2-ethoxy-3-methoxypropyl)-3-(4-methoxy-2,6-dimethylphenyl)propanamide (CID 118176419) is (2S)-2-amino-N-[(5,6-dimethyl-2-pyridinyl)methyl]-N-(2-ethoxy-3-methoxypropyl)-3-(4-methoxy-2,6-dimethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(5,6-dimethyl-2-pyridinyl)methyl]-N-(2-ethoxy-3-methoxypropyl)-3-(4-methoxy-2,6-dimethylphenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-[(5,6-dimethyl-2-pyridinyl)methyl]-N-(2-ethoxy-3-methoxypropyl)-3-(4-methoxy-2,6-dimethylphenyl)propanamide is CCOC(COC)CN(Cc1ccc(C)c(C)n1)C(=O)[C@@H](N)Cc1c(C)cc(OC)cc1C.
What is the InChIKey of (2S)-2-amino-N-[(5,6-dimethyl-2-pyridinyl)methyl]-N-(2-ethoxy-3-methoxypropyl)-3-(4-methoxy-2,6-dimethylphenyl)propanamide?
The InChIKey is XIDVWFNNOQOLFD-YNMFNDETSA-N. The full InChI is InChI=1S/C26H39N3O4/c1-8-33-23(16-31-6)15-29(14-21-10-9-17(2)20(5)28-21)26(30)25(27)13-24-18(3)11-22(32-7)12-19(24)4/h9-12,23,25H,8,13-16,27H2,1-7H3/t23?,25-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(5,6-dimethyl-2-pyridinyl)methyl]-N-(2-ethoxy-3-methoxypropyl)-3-(4-methoxy-2,6-dimethylphenyl)propanamide?
(2S)-2-amino-N-[(5,6-dimethyl-2-pyridinyl)methyl]-N-(2-ethoxy-3-methoxypropyl)-3-(4-methoxy-2,6-dimethylphenyl)propanamide has a molecular weight of 457.62 g/mol, XLogP of 3.27, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(5,6-dimethyl-2-pyridinyl)methyl]-N-(2-ethoxy-3-methoxypropyl)-3-(4-methoxy-2,6-dimethylphenyl)propanamide is sourced from PubChem (CID 118176419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).