(2S)-N-(2,2-dimethoxyethyl)-2-formamido-N-(2-methylbutyl)propanamide

C13H26N2O4 — CID 163281668

IUPAC(2S)-N-(2,2-dimethoxyethyl)-2-formamido-N-(2-methylbutyl)propanamide
SMILESCCC(C)CN(CC(OC)OC)C(=O)[C@H](C)NC=O
InChIInChI=1S/C13H26N2O4/c1-6-10(2)7-15(8-12(18-4)19-5)13(17)11(3)14-9-16/h9-12H,6-8H2,1-5H3,(H,14,16)/t10?,11-/m0/s1
InChIKeyKLJXTQZOMGJSFU-DTIOYNMSSA-N
MW274.36 g/mol
LogP0.61
Rot. Bonds10

About (2S)-N-(2,2-dimethoxyethyl)-2-formamido-N-(2-methylbutyl)propanamide

(2S)-N-(2,2-dimethoxyethyl)-2-formamido-N-(2-methylbutyl)propanamide (PubChem CID 163281668) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2S)-N-(2,2-dimethoxyethyl)-2-formamido-N-(2-methylbutyl)propanamide.

Molecular Properties

Compound Name(2S)-N-(2,2-dimethoxyethyl)-2-formamido-N-(2-methylbutyl)propanamide
PubChem CID163281668
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name(2S)-N-(2,2-dimethoxyethyl)-2-formamido-N-(2-methylbutyl)propanamide
SMILESCCC(C)CN(CC(OC)OC)C(=O)[C@H](C)NC=O
InChIInChI=1S/C13H26N2O4/c1-6-10(2)7-15(8-12(18-4)19-5)13(17)11(3)14-9-16/h9-12H,6-8H2,1-5H3,(H,14,16)/t10?,11-/m0/s1
InChIKeyKLJXTQZOMGJSFU-DTIOYNMSSA-N
XLogP0.61
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2-[[2-[Acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] methyl carbonate
CID 10968656
[2-[[2-[Acetyl(methyl)amino]-3-methylbutanoyl]amino]-2-methylpropyl] ethyl carbonate
CID 15446111
N-(2-methoxyethyl)-2-[methyl(2-methylpropyl)amino]propanamide
CID 75385915
N-Formyl-dl-valyl-glycine ethyl ester
CID 567885
N-[1-[[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-2-(methylamino)propanamide
CID 18723916
N'-(2,2-dimethoxyethyl)-N-propyloxamide
CID 45585071
CID 57880690
CID 57880690
CID 57880743
CID 57880743
N-[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide
CID 59939815
(2S)-2-amino-N-(1,1-dimethoxypropan-2-yl)propanamide
CID 64387799
2-acetamido-N-(2-methoxyethyl)-3-methylbutanamide
CID 78782683
2-acetamido-N,N-bis(2-methoxyethyl)-3-methylbutanamide
CID 89138246

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,2-dimethoxyethyl)-2-formamido-N-(2-methylbutyl)propanamide?
The IUPAC name of (2S)-N-(2,2-dimethoxyethyl)-2-formamido-N-(2-methylbutyl)propanamide (CID 163281668) is (2S)-N-(2,2-dimethoxyethyl)-2-formamido-N-(2-methylbutyl)propanamide.
What is the SMILES notation for (2S)-N-(2,2-dimethoxyethyl)-2-formamido-N-(2-methylbutyl)propanamide?
The canonical SMILES for (2S)-N-(2,2-dimethoxyethyl)-2-formamido-N-(2-methylbutyl)propanamide is CCC(C)CN(CC(OC)OC)C(=O)[C@H](C)NC=O.
What is the InChIKey of (2S)-N-(2,2-dimethoxyethyl)-2-formamido-N-(2-methylbutyl)propanamide?
The InChIKey is KLJXTQZOMGJSFU-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-6-10(2)7-15(8-12(18-4)19-5)13(17)11(3)14-9-16/h9-12H,6-8H2,1-5H3,(H,14,16)/t10?,11-/m0/s1.
What are the key properties of (2S)-N-(2,2-dimethoxyethyl)-2-formamido-N-(2-methylbutyl)propanamide?
(2S)-N-(2,2-dimethoxyethyl)-2-formamido-N-(2-methylbutyl)propanamide has a molecular weight of 274.36 g/mol, XLogP of 0.61, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,2-dimethoxyethyl)-2-formamido-N-(2-methylbutyl)propanamide is sourced from PubChem (CID 163281668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).