3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4,4-dimethylpentanamide

C12H25N3O3 — CID 113405165

IUPAC3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4,4-dimethylpentanamide
SMILESCOCCNC(=O)CNC(=O)CC(N)C(C)(C)C
InChIInChI=1S/C12H25N3O3/c1-12(2,3)9(13)7-10(16)15-8-11(17)14-5-6-18-4/h9H,5-8,13H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyOCWDFQKQZIVXMT-UHFFFAOYSA-N
MW259.35 g/mol
LogP-0.37
Rot. Bonds7

About 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4,4-dimethylpentanamide

3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4,4-dimethylpentanamide (PubChem CID 113405165) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4,4-dimethylpentanamide
PubChem CID113405165
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4,4-dimethylpentanamide
SMILESCOCCNC(=O)CNC(=O)CC(N)C(C)(C)C
InChIInChI=1S/C12H25N3O3/c1-12(2,3)9(13)7-10(16)15-8-11(17)14-5-6-18-4/h9H,5-8,13H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyOCWDFQKQZIVXMT-UHFFFAOYSA-N
XLogP-0.37
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 115738068
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
CID 115733671
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 103794285
2-methylpropyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate
CID 126007916
3-[(3-amino-4,4-dimethylpentanoyl)amino]-2-methoxypropanoic acid
CID 106109020
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119695009
2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylpentanamide;hydrochloride
CID 119695004
2,2,2-trifluoroethyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate
CID 112683708
N-[2-(2-methoxyethylamino)ethyl]-3,4,4-trimethylpentanamide
CID 82993574
2-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 112703692
tert-butyl N-[2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate
CID 107442662
5-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]pentanamide
CID 112549769

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4,4-dimethylpentanamide?
The IUPAC name of 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4,4-dimethylpentanamide (CID 113405165) is 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4,4-dimethylpentanamide.
What is the SMILES notation for 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4,4-dimethylpentanamide?
The canonical SMILES for 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4,4-dimethylpentanamide is COCCNC(=O)CNC(=O)CC(N)C(C)(C)C.
What is the InChIKey of 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4,4-dimethylpentanamide?
The InChIKey is OCWDFQKQZIVXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-12(2,3)9(13)7-10(16)15-8-11(17)14-5-6-18-4/h9H,5-8,13H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4,4-dimethylpentanamide?
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4,4-dimethylpentanamide has a molecular weight of 259.35 g/mol, XLogP of -0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 113405165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).