(2S)-4-[butoxy(methyl)phosphanyl]-2-formamido-N-methylbutanamide

C11H23N2O3P — CID 169186683

IUPAC(2S)-4-[butoxy(methyl)phosphanyl]-2-formamido-N-methylbutanamide
SMILESCCCCOP(C)CC[C@H](NC=O)C(=O)NC
InChIInChI=1S/C11H23N2O3P/c1-4-5-7-16-17(3)8-6-10(13-9-14)11(15)12-2/h9-10H,4-8H2,1-3H3,(H,12,15)(H,13,14)/t10-,17?/m0/s1
InChIKeyLUQLKOFGZONESV-YOZOHBORSA-N
MW262.29 g/mol
LogP1.08
Rot. Bonds10

About (2S)-4-[butoxy(methyl)phosphanyl]-2-formamido-N-methylbutanamide

(2S)-4-[butoxy(methyl)phosphanyl]-2-formamido-N-methylbutanamide (PubChem CID 169186683) has the molecular formula C11H23N2O3P and a molecular weight of 262.29 g/mol. Its IUPAC name is (2S)-4-[butoxy(methyl)phosphanyl]-2-formamido-N-methylbutanamide.

Molecular Properties

Compound Name(2S)-4-[butoxy(methyl)phosphanyl]-2-formamido-N-methylbutanamide
PubChem CID169186683
Molecular FormulaC11H23N2O3P
Molecular Weight262.29 g/mol
Exact Mass262.14
IUPAC Name(2S)-4-[butoxy(methyl)phosphanyl]-2-formamido-N-methylbutanamide
SMILESCCCCOP(C)CC[C@H](NC=O)C(=O)NC
InChIInChI=1S/C11H23N2O3P/c1-4-5-7-16-17(3)8-6-10(13-9-14)11(15)12-2/h9-10H,4-8H2,1-3H3,(H,12,15)(H,13,14)/t10-,17?/m0/s1
InChIKeyLUQLKOFGZONESV-YOZOHBORSA-N
XLogP1.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 171639060
CID 171639060
(2S)-2-formamido-N'-hydroxy-N-methyloctanediamide
CID 58720884
4-[butoxy(methyl)phosphanyl]butanoic acid
CID 166139496
N-(1,1-dibutoxypropan-2-yl)formamide
CID 10130828
2-formamido-N-methyl-3-phenylpropanamide
CID 14245854
2-(butoxymethyl)-N-methylpentanamide
CID 140571341
ethyl (2S)-6-amino-2-formamidohexanoate
CID 57231978
(2S)-N-methyl-2-(methylamino)pentanamide
CID 143782023
N-(1-hydroxyhexan-2-yl)formamide
CID 91256811
(2S)-2-amino-N-methylhexanamide;hydrochloride
CID 141190381
2-formamidopentanedioic acid;2-(methylamino)hexanoic acid
CID 142524099
(4Z)-4-ethylidene-N,5-dimethyl-2-[2-(methylamino)propanoylamino]octanamide
CID 166777670

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[butoxy(methyl)phosphanyl]-2-formamido-N-methylbutanamide?
The IUPAC name of (2S)-4-[butoxy(methyl)phosphanyl]-2-formamido-N-methylbutanamide (CID 169186683) is (2S)-4-[butoxy(methyl)phosphanyl]-2-formamido-N-methylbutanamide.
What is the SMILES notation for (2S)-4-[butoxy(methyl)phosphanyl]-2-formamido-N-methylbutanamide?
The canonical SMILES for (2S)-4-[butoxy(methyl)phosphanyl]-2-formamido-N-methylbutanamide is CCCCOP(C)CC[C@H](NC=O)C(=O)NC.
What is the InChIKey of (2S)-4-[butoxy(methyl)phosphanyl]-2-formamido-N-methylbutanamide?
The InChIKey is LUQLKOFGZONESV-YOZOHBORSA-N. The full InChI is InChI=1S/C11H23N2O3P/c1-4-5-7-16-17(3)8-6-10(13-9-14)11(15)12-2/h9-10H,4-8H2,1-3H3,(H,12,15)(H,13,14)/t10-,17?/m0/s1.
What are the key properties of (2S)-4-[butoxy(methyl)phosphanyl]-2-formamido-N-methylbutanamide?
(2S)-4-[butoxy(methyl)phosphanyl]-2-formamido-N-methylbutanamide has a molecular weight of 262.29 g/mol, XLogP of 1.08, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[butoxy(methyl)phosphanyl]-2-formamido-N-methylbutanamide is sourced from PubChem (CID 169186683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).