N-prop-2-enyl-2-(4-propoxyanilino)propanamide

C15H22N2O2 — CID 62328512

IUPACN-prop-2-enyl-2-(4-propoxyanilino)propanamide
SMILESC=CCNC(=O)C(C)Nc1ccc(OCCC)cc1
InChIInChI=1S/C15H22N2O2/c1-4-10-16-15(18)12(3)17-13-6-8-14(9-7-13)19-11-5-2/h4,6-9,12,17H,1,5,10-11H2,2-3H3,(H,16,18)
InChIKeyMZIIKORPDSWAFD-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.58
Rot. Bonds8

About N-prop-2-enyl-2-(4-propoxyanilino)propanamide

N-prop-2-enyl-2-(4-propoxyanilino)propanamide (PubChem CID 62328512) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-prop-2-enyl-2-(4-propoxyanilino)propanamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-(4-propoxyanilino)propanamide
PubChem CID62328512
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-prop-2-enyl-2-(4-propoxyanilino)propanamide
SMILESC=CCNC(=O)C(C)Nc1ccc(OCCC)cc1
InChIInChI=1S/C15H22N2O2/c1-4-10-16-15(18)12(3)17-13-6-8-14(9-7-13)19-11-5-2/h4,6-9,12,17H,1,5,10-11H2,2-3H3,(H,16,18)
InChIKeyMZIIKORPDSWAFD-UHFFFAOYSA-N
XLogP2.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-(4-propoxyanilino)propanamide
CID 62329025
(2R)-2-(4-ethylanilino)-N-prop-2-enylpropanamide
CID 28843279
2-(4-bromoanilino)-N-prop-2-enylpropanamide
CID 43086744
2-[4-(ethylsulfonylamino)anilino]-N-prop-2-enylpropanamide
CID 47065396
N-prop-2-enyl-2-(4-quinolin-8-yloxyanilino)propanamide
CID 60601662
2-amino-N-(4-propoxyphenyl)propanamide
CID 62327124
2-(2-formyl-5-propoxyphenoxy)-N-prop-2-enylpropanamide
CID 43388408
N-propan-2-yl-4-propoxyaniline
CID 21311809
2-(4-ethoxyanilino)-N-methylpropanamide
CID 43085866
2-(3-chloro-4-methoxyanilino)-N-prop-2-enylpropanamide
CID 43087357
2,3-dimethyl-4-oxo-4-(4-propoxyanilino)butanoic acid
CID 103498262
2-[4-(prop-2-enylcarbamoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 86919769

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-(4-propoxyanilino)propanamide?
The IUPAC name of N-prop-2-enyl-2-(4-propoxyanilino)propanamide (CID 62328512) is N-prop-2-enyl-2-(4-propoxyanilino)propanamide.
What is the SMILES notation for N-prop-2-enyl-2-(4-propoxyanilino)propanamide?
The canonical SMILES for N-prop-2-enyl-2-(4-propoxyanilino)propanamide is C=CCNC(=O)C(C)Nc1ccc(OCCC)cc1.
What is the InChIKey of N-prop-2-enyl-2-(4-propoxyanilino)propanamide?
The InChIKey is MZIIKORPDSWAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-10-16-15(18)12(3)17-13-6-8-14(9-7-13)19-11-5-2/h4,6-9,12,17H,1,5,10-11H2,2-3H3,(H,16,18).
What are the key properties of N-prop-2-enyl-2-(4-propoxyanilino)propanamide?
N-prop-2-enyl-2-(4-propoxyanilino)propanamide has a molecular weight of 262.35 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-(4-propoxyanilino)propanamide is sourced from PubChem (CID 62328512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).