2-amino-4-methoxy-N-(2-methylpropyl)butanamide

C9H20N2O2 — CID 62474242

IUPAC2-amino-4-methoxy-N-(2-methylpropyl)butanamide
SMILESCOCCC(N)C(=O)NCC(C)C
InChIInChI=1S/C9H20N2O2/c1-7(2)6-11-9(12)8(10)4-5-13-3/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyTYKGBBRZWIIAOV-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.12
Rot. Bonds6

About 2-amino-4-methoxy-N-(2-methylpropyl)butanamide

2-amino-4-methoxy-N-(2-methylpropyl)butanamide (PubChem CID 62474242) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-(2-methylpropyl)butanamide
PubChem CID62474242
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-amino-4-methoxy-N-(2-methylpropyl)butanamide
SMILESCOCCC(N)C(=O)NCC(C)C
InChIInChI=1S/C9H20N2O2/c1-7(2)6-11-9(12)8(10)4-5-13-3/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyTYKGBBRZWIIAOV-UHFFFAOYSA-N
XLogP0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-methoxy-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide
CID 113407134
2-amino-4-methoxy-N-(2-methoxypropyl)butanamide
CID 102695104
2-amino-N-[2-(dimethylamino)-4-methylpentyl]-4-methoxybutanamide
CID 62476772
2-[[(2-amino-4-methoxybutanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224019
5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid
CID 82689051
2-amino-N-(2-aminoethyl)-4-methoxybutanamide
CID 62477473
2-amino-N-(2-hydroxyethyl)-4-methoxybutanamide
CID 62472987
2-amino-4-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide
CID 62477972
2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide
CID 62473721
2-amino-N-(3-aminopropyl)-4-methoxybutanamide
CID 62477474
2-amino-N-(3-methoxypropyl)-4-methylpentanamide
CID 22170060
2-amino-4-methoxy-N-(3-propan-2-yloxypropyl)butanamide
CID 62476611

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-(2-methylpropyl)butanamide?
The IUPAC name of 2-amino-4-methoxy-N-(2-methylpropyl)butanamide (CID 62474242) is 2-amino-4-methoxy-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-(2-methylpropyl)butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-(2-methylpropyl)butanamide is COCCC(N)C(=O)NCC(C)C.
What is the InChIKey of 2-amino-4-methoxy-N-(2-methylpropyl)butanamide?
The InChIKey is TYKGBBRZWIIAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7(2)6-11-9(12)8(10)4-5-13-3/h7-8H,4-6,10H2,1-3H3,(H,11,12).
What are the key properties of 2-amino-4-methoxy-N-(2-methylpropyl)butanamide?
2-amino-4-methoxy-N-(2-methylpropyl)butanamide has a molecular weight of 188.27 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 62474242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).