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

C9H20N2O3 — CID 102695104

IUPAC2-amino-4-methoxy-N-(2-methoxypropyl)butanamide
SMILESCOCCC(N)C(=O)NCC(C)OC
InChIInChI=1S/C9H20N2O3/c1-7(14-3)6-11-9(12)8(10)4-5-13-2/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyKQKZWKWERKXKGT-UHFFFAOYSA-N
MW204.27 g/mol
LogP-0.50
Rot. Bonds7

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

2-amino-4-methoxy-N-(2-methoxypropyl)butanamide (PubChem CID 102695104) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-(2-methoxypropyl)butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-(2-methoxypropyl)butanamide
PubChem CID102695104
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name2-amino-4-methoxy-N-(2-methoxypropyl)butanamide
SMILESCOCCC(N)C(=O)NCC(C)OC
InChIInChI=1S/C9H20N2O3/c1-7(14-3)6-11-9(12)8(10)4-5-13-2/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyKQKZWKWERKXKGT-UHFFFAOYSA-N
XLogP-0.50
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methoxy-N-(2-methylpropyl)butanamide
CID 62474242
2-amino-N-(2-methoxypropyl)-4-methylsulfonylbutanamide
CID 102694855
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-hydroxyethyl)-4-methoxybutanamide
CID 62472987
2-amino-N-(2-aminoethyl)-4-methoxybutanamide
CID 62477473
2-amino-N-[2-(dimethylamino)-4-methylpentyl]-4-methoxybutanamide
CID 62476772
2-amino-4-methoxy-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide
CID 113407134
2-amino-N-(2-methoxypropyl)pent-4-ynamide
CID 102694961
2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide
CID 62473721
2-amino-N-(3-aminopropyl)-4-methoxybutanamide
CID 62477474
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-methoxypropyl)butanamide?
The IUPAC name of 2-amino-4-methoxy-N-(2-methoxypropyl)butanamide (CID 102695104) is 2-amino-4-methoxy-N-(2-methoxypropyl)butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-(2-methoxypropyl)butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-(2-methoxypropyl)butanamide is COCCC(N)C(=O)NCC(C)OC.
What is the InChIKey of 2-amino-4-methoxy-N-(2-methoxypropyl)butanamide?
The InChIKey is KQKZWKWERKXKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-7(14-3)6-11-9(12)8(10)4-5-13-2/h7-8H,4-6,10H2,1-3H3,(H,11,12).
What are the key properties of 2-amino-4-methoxy-N-(2-methoxypropyl)butanamide?
2-amino-4-methoxy-N-(2-methoxypropyl)butanamide has a molecular weight of 204.27 g/mol, XLogP of -0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-(2-methoxypropyl)butanamide is sourced from PubChem (CID 102695104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).