(2S)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide

C14H22N2O3 — CID 94795520

IUPAC(2S)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
SMILESCCCCO[C@@H](C)C(=O)NCc1cccnc1OC
InChIInChI=1S/C14H22N2O3/c1-4-5-9-19-11(2)13(17)16-10-12-7-6-8-15-14(12)18-3/h6-8,11H,4-5,9-10H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyCHZVPKQMSOPNFY-NSHDSACASA-N
MW266.34 g/mol
LogP1.91
Rot. Bonds8

About (2S)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide

(2S)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide (PubChem CID 94795520) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2S)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
PubChem CID94795520
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(2S)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
SMILESCCCCO[C@@H](C)C(=O)NCc1cccnc1OC
InChIInChI=1S/C14H22N2O3/c1-4-5-9-19-11(2)13(17)16-10-12-7-6-8-15-14(12)18-3/h6-8,11H,4-5,9-10H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyCHZVPKQMSOPNFY-NSHDSACASA-N
XLogP1.91
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 94795522
2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 47035760
(2S)-2-[(3-methoxyphenyl)methoxy]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 94024629
3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114898125
(2R)-2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide
CID 79012949
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 79196113
(2R)-N-[(2-butoxy-3-pyridinyl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 126829299
2-(4-butylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37485449
2-(azetidin-3-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 116675894
1-[(2-methoxy-3-pyridinyl)methyl]-3-(3-methylbutyl)urea
CID 47164188
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]butanediamide
CID 54927008
(2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 37247400

Frequently Asked Questions

What is the IUPAC name of (2S)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide?
The IUPAC name of (2S)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide (CID 94795520) is (2S)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide?
The canonical SMILES for (2S)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide is CCCCO[C@@H](C)C(=O)NCc1cccnc1OC.
What is the InChIKey of (2S)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide?
The InChIKey is CHZVPKQMSOPNFY-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-5-9-19-11(2)13(17)16-10-12-7-6-8-15-14(12)18-3/h6-8,11H,4-5,9-10H2,1-3H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide?
(2S)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide has a molecular weight of 266.34 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 94795520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).