N-(3-amino-2,2-dimethylpropyl)-4-methoxybutanamide

C10H22N2O2 — CID 115365695

IUPACN-(3-amino-2,2-dimethylpropyl)-4-methoxybutanamide
SMILESCOCCCC(=O)NCC(C)(C)CN
InChIInChI=1S/C10H22N2O2/c1-10(2,7-11)8-12-9(13)5-4-6-14-3/h4-8,11H2,1-3H3,(H,12,13)
InChIKeyAHVZAEFSJAIDNY-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.51
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-4-methoxybutanamide

N-(3-amino-2,2-dimethylpropyl)-4-methoxybutanamide (PubChem CID 115365695) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-4-methoxybutanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-4-methoxybutanamide
PubChem CID115365695
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-4-methoxybutanamide
SMILESCOCCCC(=O)NCC(C)(C)CN
InChIInChI=1S/C10H22N2O2/c1-10(2,7-11)8-12-9(13)5-4-6-14-3/h4-8,11H2,1-3H3,(H,12,13)
InChIKeyAHVZAEFSJAIDNY-UHFFFAOYSA-N
XLogP0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis[4-[(3-amino-2,2-dimethylpropyl)amino]-4-oxobutyl] oxalate
CID 57210877
N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybutanamide
CID 103899565
[5-[(3-amino-2,2-dimethylpropyl)amino]-5-oxopentyl] nitrate
CID 14799036
N-(3-amino-2,2-dimethylpropyl)-6-methylheptanamide
CID 115271093
methyl 2-(4-methoxybutanoylamino)acetate
CID 112729446
2-hydroxy-3-(3-methoxypropanoylamino)-2-methylpropanoic acid
CID 66172346
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methoxybutanamide
CID 81487568
N-[3-[3-[3-(3-amino-2,2-dimethylpropoxy)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]hexadecanamide;ethane
CID 171529103
N-(cyanomethyl)-4-methoxybutanamide
CID 78989538
N-(4-amino-2,2-dimethylbutyl)pentanamide
CID 106139700
5-amino-N-(3-hydroxy-2,2-dimethylpropyl)pentanamide
CID 115360270
7-amino-N-(3-methoxypropyl)heptanamide
CID 43153320

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-methoxybutanamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-methoxybutanamide (CID 115365695) is N-(3-amino-2,2-dimethylpropyl)-4-methoxybutanamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-4-methoxybutanamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-4-methoxybutanamide is COCCCC(=O)NCC(C)(C)CN.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-4-methoxybutanamide?
The InChIKey is AHVZAEFSJAIDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-10(2,7-11)8-12-9(13)5-4-6-14-3/h4-8,11H2,1-3H3,(H,12,13).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-4-methoxybutanamide?
N-(3-amino-2,2-dimethylpropyl)-4-methoxybutanamide has a molecular weight of 202.30 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-4-methoxybutanamide is sourced from PubChem (CID 115365695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).