2-methyl-N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]propanamide

C15H21N3O2 — CID 54831655

IUPAC2-methyl-N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]propanamide
SMILESC=CCNC(=O)CNc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C15H21N3O2/c1-4-8-16-14(19)10-17-12-6-5-7-13(9-12)18-15(20)11(2)3/h4-7,9,11,17H,1,8,10H2,2-3H3,(H,16,19)(H,18,20)
InChIKeyAAACFWDZFLGLHQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.00
Rot. Bonds7

About 2-methyl-N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]propanamide

2-methyl-N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]propanamide (PubChem CID 54831655) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-methyl-N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]propanamide
PubChem CID54831655
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-methyl-N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]propanamide
SMILESC=CCNC(=O)CNc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C15H21N3O2/c1-4-8-16-14(19)10-17-12-6-5-7-13(9-12)18-15(20)11(2)3/h4-7,9,11,17H,1,8,10H2,2-3H3,(H,16,19)(H,18,20)
InChIKeyAAACFWDZFLGLHQ-UHFFFAOYSA-N
XLogP2.00
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-acetamidoanilino)-N-prop-2-enylacetamide
CID 54831608
2-methyl-N-[3-[[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]amino]phenyl]propanamide
CID 54831765
N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]benzamide
CID 54839094
2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54831495
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809331
N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809062
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831626
2-[3-(2-methylpropoxy)anilino]-N-prop-2-enylacetamide
CID 54823925
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54813263
3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide
CID 54842423
N-ethyl-4-[[2-[3-(2-methylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54831796
N,N-diethyl-3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide
CID 54832875

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]propanamide (CID 54831655) is 2-methyl-N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]propanamide is C=CCNC(=O)CNc1cccc(NC(=O)C(C)C)c1.
What is the InChIKey of 2-methyl-N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]propanamide?
The InChIKey is AAACFWDZFLGLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-8-16-14(19)10-17-12-6-5-7-13(9-12)18-15(20)11(2)3/h4-7,9,11,17H,1,8,10H2,2-3H3,(H,16,19)(H,18,20).
What are the key properties of 2-methyl-N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]propanamide?
2-methyl-N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]propanamide has a molecular weight of 275.35 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54831655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).