N-prop-2-enoyl-N-propylpropanamide

C9H15NO2 — CID 143653418

IUPACN-prop-2-enoyl-N-propylpropanamide
SMILESC=CC(=O)N(CCC)C(=O)CC
InChIInChI=1S/C9H15NO2/c1-4-7-10(8(11)5-2)9(12)6-3/h5H,2,4,6-7H2,1,3H3
InChIKeyWKJATTZLOVKQID-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.35
Rot. Bonds4

About N-prop-2-enoyl-N-propylpropanamide

N-prop-2-enoyl-N-propylpropanamide (PubChem CID 143653418) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-prop-2-enoyl-N-propylpropanamide.

Molecular Properties

Compound NameN-prop-2-enoyl-N-propylpropanamide
PubChem CID143653418
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-prop-2-enoyl-N-propylpropanamide
SMILESC=CC(=O)N(CCC)C(=O)CC
InChIInChI=1S/C9H15NO2/c1-4-7-10(8(11)5-2)9(12)6-3/h5H,2,4,6-7H2,1,3H3
InChIKeyWKJATTZLOVKQID-UHFFFAOYSA-N
XLogP1.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[di(prop-2-enoyl)amino]ethyl]-N-prop-2-enoylprop-2-enamide
CID 90960823
propanoyl(propyl)carbamothioic S-acid
CID 144693567
N,N',N'-tripropylprop-2-enehydrazide
CID 87503910
N-butyl-N-carbamoylprop-2-enamide
CID 22435582
N-ethyl-N-[1-[ethyl(prop-2-enoyl)amino]prop-1-enyl]prop-2-enamide
CID 87562000
N-(methylideneamino)-N-propylprop-2-enamide
CID 145450395
N-(2-aminoacetyl)-N-ethylprop-2-enamide
CID 87561036
N-propan-2-yl-N-propylprop-2-enamide
CID 43616586
N-[6-[di(prop-2-enoyl)amino]hexyl]-N-prop-2-enoylprop-2-enamide
CID 89189682
N'-ethyl-N-propylprop-2-enehydrazide
CID 87504958
ethane;N-prop-2-enyl-N-propylprop-2-enamide
CID 143794226
N-(3-aminopropyl)-N-propylprop-2-enamide
CID 150203035

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enoyl-N-propylpropanamide?
The IUPAC name of N-prop-2-enoyl-N-propylpropanamide (CID 143653418) is N-prop-2-enoyl-N-propylpropanamide.
What is the SMILES notation for N-prop-2-enoyl-N-propylpropanamide?
The canonical SMILES for N-prop-2-enoyl-N-propylpropanamide is C=CC(=O)N(CCC)C(=O)CC.
What is the InChIKey of N-prop-2-enoyl-N-propylpropanamide?
The InChIKey is WKJATTZLOVKQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-7-10(8(11)5-2)9(12)6-3/h5H,2,4,6-7H2,1,3H3.
What are the key properties of N-prop-2-enoyl-N-propylpropanamide?
N-prop-2-enoyl-N-propylpropanamide has a molecular weight of 169.22 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enoyl-N-propylpropanamide is sourced from PubChem (CID 143653418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).