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

C12H22N2O2 — CID 113115514

IUPAC3-[acetyl(prop-2-enyl)amino]-N-butylpropanamide
SMILESC=CCN(CCC(=O)NCCCC)C(C)=O
InChIInChI=1S/C12H22N2O2/c1-4-6-8-13-12(16)7-10-14(9-5-2)11(3)15/h5H,2,4,6-10H2,1,3H3,(H,13,16)
InChIKeySCBVUJGBYUYPOL-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.33
Rot. Bonds8

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

3-[acetyl(prop-2-enyl)amino]-N-butylpropanamide (PubChem CID 113115514) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-[acetyl(prop-2-enyl)amino]-N-butylpropanamide.

Molecular Properties

Compound Name3-[acetyl(prop-2-enyl)amino]-N-butylpropanamide
PubChem CID113115514
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-[acetyl(prop-2-enyl)amino]-N-butylpropanamide
SMILESC=CCN(CCC(=O)NCCCC)C(C)=O
InChIInChI=1S/C12H22N2O2/c1-4-6-8-13-12(16)7-10-14(9-5-2)11(3)15/h5H,2,4,6-10H2,1,3H3,(H,13,16)
InChIKeySCBVUJGBYUYPOL-UHFFFAOYSA-N
XLogP1.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-propylpropanamide
CID 113115511
3-[acetyl(prop-2-enyl)amino]-N-(3-methoxypropyl)propanamide
CID 113115524
3-[acetyl(butyl)amino]-N-propylpropanamide
CID 113115710
3-[acetyl(3-methylbutyl)amino]-N-pentylpropanamide
CID 113122880
3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide
CID 113115724
3-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-butylpropanamide
CID 113121920
3-[acetyl(propyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113114928
N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-methylpropanamide
CID 113052235
3-[acetyl(prop-2-enyl)amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113115526
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butylpropanamide
CID 113119864
3-[acetyl(prop-2-enyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113115565
5-acetamido-N-butylpentanamide
CID 123729472

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(prop-2-enyl)amino]-N-butylpropanamide?
The IUPAC name of 3-[acetyl(prop-2-enyl)amino]-N-butylpropanamide (CID 113115514) is 3-[acetyl(prop-2-enyl)amino]-N-butylpropanamide.
What is the SMILES notation for 3-[acetyl(prop-2-enyl)amino]-N-butylpropanamide?
The canonical SMILES for 3-[acetyl(prop-2-enyl)amino]-N-butylpropanamide is C=CCN(CCC(=O)NCCCC)C(C)=O.
What is the InChIKey of 3-[acetyl(prop-2-enyl)amino]-N-butylpropanamide?
The InChIKey is SCBVUJGBYUYPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-6-8-13-12(16)7-10-14(9-5-2)11(3)15/h5H,2,4,6-10H2,1,3H3,(H,13,16).
What are the key properties of 3-[acetyl(prop-2-enyl)amino]-N-butylpropanamide?
3-[acetyl(prop-2-enyl)amino]-N-butylpropanamide has a molecular weight of 226.32 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(prop-2-enyl)amino]-N-butylpropanamide is sourced from PubChem (CID 113115514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).