2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide

C12H25N3O3 — CID 113407011

IUPAC2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide
SMILESCCC(C)NC(=O)CNC(C)C(=O)NCCOC
InChIInChI=1S/C12H25N3O3/c1-5-9(2)15-11(16)8-14-10(3)12(17)13-6-7-18-4/h9-10,14H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyPSTGSFOSOBCYRZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP-0.36
Rot. Bonds9

About 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide

2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide (PubChem CID 113407011) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide
PubChem CID113407011
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide
SMILESCCC(C)NC(=O)CNC(C)C(=O)NCCOC
InChIInChI=1S/C12H25N3O3/c1-5-9(2)15-11(16)8-14-10(3)12(17)13-6-7-18-4/h9-10,14H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyPSTGSFOSOBCYRZ-UHFFFAOYSA-N
XLogP-0.36
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-0.36
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

N-butyl-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanamide
CID 112683886
N-butan-2-yl-2-[[2-(2-methoxyethylamino)acetyl]amino]propanamide;hydrochloride
CID 119756312
N-(2-methoxyethyl)-2-(2-methylbutylamino)propanamide
CID 62694565
2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-prop-2-enylpropanamide
CID 113219588
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide
CID 113407019
N-butan-2-yl-3-[[N-(2-methoxyethyl)-N'-methylcarbamimidoyl]amino]propanamide
CID 110942520
2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-phenylpropanamide
CID 115574236
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-propylpropanamide
CID 54901154
N-(2-methoxyethyl)-2-(nonylamino)propanamide
CID 115574851
N-butan-2-yl-2-(3-methylpentan-2-ylamino)acetamide
CID 61463687
N-butan-2-yl-2-[(4-methoxy-2,2-dimethylbutyl)amino]propanamide
CID 104624297
2-(3-hydroxybutylamino)-N-(2-methoxyethyl)propanamide
CID 64913516

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide (CID 113407011) is 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide is CCC(C)NC(=O)CNC(C)C(=O)NCCOC.
What is the InChIKey of 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is PSTGSFOSOBCYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-5-9(2)15-11(16)8-14-10(3)12(17)13-6-7-18-4/h9-10,14H,5-8H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide?
2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 259.35 g/mol, XLogP of -0.36, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 113407011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).