3-[acetyl(prop-2-enyl)amino]-N-(3-methoxypropyl)propanamide

C12H22N2O3 — CID 113115524

IUPAC3-[acetyl(prop-2-enyl)amino]-N-(3-methoxypropyl)propanamide
SMILESC=CCN(CCC(=O)NCCCOC)C(C)=O
InChIInChI=1S/C12H22N2O3/c1-4-8-14(11(2)15)9-6-12(16)13-7-5-10-17-3/h4H,1,5-10H2,2-3H3,(H,13,16)
InChIKeyDWNGJHPDJLGTEI-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.56
Rot. Bonds9

About 3-[acetyl(prop-2-enyl)amino]-N-(3-methoxypropyl)propanamide

3-[acetyl(prop-2-enyl)amino]-N-(3-methoxypropyl)propanamide (PubChem CID 113115524) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[acetyl(prop-2-enyl)amino]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(prop-2-enyl)amino]-N-(3-methoxypropyl)propanamide
PubChem CID113115524
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[acetyl(prop-2-enyl)amino]-N-(3-methoxypropyl)propanamide
SMILESC=CCN(CCC(=O)NCCCOC)C(C)=O
InChIInChI=1S/C12H22N2O3/c1-4-8-14(11(2)15)9-6-12(16)13-7-5-10-17-3/h4H,1,5-10H2,2-3H3,(H,13,16)
InChIKeyDWNGJHPDJLGTEI-UHFFFAOYSA-N
XLogP0.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[acetyl(prop-2-enyl)amino]-N-butylpropanamide
CID 113115514
3-[acetyl(prop-2-enyl)amino]-N-propylpropanamide
CID 113115511
3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide
CID 113115724
3-[acetyl(2-methoxyethyl)amino]-N-prop-2-enylpropanamide
CID 113116872
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
CID 113118382
3-[acetyl(2-methoxyethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113116886
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
CID 113119718
2-[acetyl(3-methoxypropyl)amino]-N-prop-2-enylacetamide
CID 113159991
N-(3-methoxypropyl)-4-sulfanylbutanamide
CID 58311886
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(3-methoxypropyl)acetamide
CID 113160778
2-[4-methoxybutylcarbamoyl(prop-2-enyl)amino]acetic acid
CID 79275399
N'-(3-methoxypropyl)decanediamide
CID 89083408

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(prop-2-enyl)amino]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 3-[acetyl(prop-2-enyl)amino]-N-(3-methoxypropyl)propanamide (CID 113115524) is 3-[acetyl(prop-2-enyl)amino]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 3-[acetyl(prop-2-enyl)amino]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 3-[acetyl(prop-2-enyl)amino]-N-(3-methoxypropyl)propanamide is C=CCN(CCC(=O)NCCCOC)C(C)=O.
What is the InChIKey of 3-[acetyl(prop-2-enyl)amino]-N-(3-methoxypropyl)propanamide?
The InChIKey is DWNGJHPDJLGTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-8-14(11(2)15)9-6-12(16)13-7-5-10-17-3/h4H,1,5-10H2,2-3H3,(H,13,16).
What are the key properties of 3-[acetyl(prop-2-enyl)amino]-N-(3-methoxypropyl)propanamide?
3-[acetyl(prop-2-enyl)amino]-N-(3-methoxypropyl)propanamide has a molecular weight of 242.32 g/mol, XLogP of 0.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(prop-2-enyl)amino]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 113115524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).