2-amino-4-methoxy-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide

C12H25N3O3 — CID 113407134

IUPAC2-amino-4-methoxy-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide
SMILESCOCCC(N)C(=O)NC(C)C(=O)NCC(C)C
InChIInChI=1S/C12H25N3O3/c1-8(2)7-14-11(16)9(3)15-12(17)10(13)5-6-18-4/h8-10H,5-7,13H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyHFZMGUTXEHYIMD-UHFFFAOYSA-N
MW259.35 g/mol
LogP-0.37
Rot. Bonds8

About 2-amino-4-methoxy-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide

2-amino-4-methoxy-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide (PubChem CID 113407134) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide
PubChem CID113407134
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name2-amino-4-methoxy-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide
SMILESCOCCC(N)C(=O)NC(C)C(=O)NCC(C)C
InChIInChI=1S/C12H25N3O3/c1-8(2)7-14-11(16)9(3)15-12(17)10(13)5-6-18-4/h8-10H,5-7,13H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyHFZMGUTXEHYIMD-UHFFFAOYSA-N
XLogP-0.37
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methoxy-N-(2-methylpropyl)butanamide
CID 62474242
2-amino-4-methoxy-N-(2-methoxypropyl)butanamide
CID 102695104
2-amino-N-(2-hydroxyethyl)-4-methoxybutanamide
CID 62472987
2-amino-N-(2-aminoethyl)-4-methoxybutanamide
CID 62477473
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide;hydrobromide
CID 18600444
2-amino-N-[2-(dimethylamino)-4-methylpentyl]-4-methoxybutanamide
CID 62476772
methyl N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate
CID 116657710
2-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)butanamide
CID 65049176
2-[[(2-amino-4-methoxybutanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224019
2-[(2-methoxyacetyl)amino]-N-(2-methylpropyl)propanamide
CID 112684467
5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid
CID 82689051
2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide
CID 62473721

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide?
The IUPAC name of 2-amino-4-methoxy-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide (CID 113407134) is 2-amino-4-methoxy-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide is COCCC(N)C(=O)NC(C)C(=O)NCC(C)C.
What is the InChIKey of 2-amino-4-methoxy-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide?
The InChIKey is HFZMGUTXEHYIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-8(2)7-14-11(16)9(3)15-12(17)10(13)5-6-18-4/h8-10H,5-7,13H2,1-4H3,(H,14,16)(H,15,17).
What are the key properties of 2-amino-4-methoxy-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide?
2-amino-4-methoxy-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide has a molecular weight of 259.35 g/mol, XLogP of -0.37, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide is sourced from PubChem (CID 113407134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).