2-(benzylamino)-N-prop-2-enylacetamide

C12H16N2O — CID 11160015

IUPAC2-(benzylamino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNCc1ccccc1
InChIInChI=1S/C12H16N2O/c1-2-8-14-12(15)10-13-9-11-6-4-3-5-7-11/h2-7,13H,1,8-10H2,(H,14,15)
InChIKeyINTMTSITGQNNBN-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.08
Rot. Bonds6

About 2-(benzylamino)-N-prop-2-enylacetamide

2-(benzylamino)-N-prop-2-enylacetamide (PubChem CID 11160015) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(benzylamino)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(benzylamino)-N-prop-2-enylacetamide
PubChem CID11160015
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(benzylamino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNCc1ccccc1
InChIInChI=1S/C12H16N2O/c1-2-8-14-12(15)10-13-9-11-6-4-3-5-7-11/h2-7,13H,1,8-10H2,(H,14,15)
InChIKeyINTMTSITGQNNBN-UHFFFAOYSA-N
XLogP1.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromophenyl)methylamino]-N-prop-2-enylacetamide
CID 115919828
N-prop-2-enyl-2-(pyridin-4-ylmethylamino)acetamide
CID 108992941
N-[2-oxo-2-(prop-2-enylamino)ethyl]-2-phenylacetamide
CID 9442349
2-[(6-chloro-3-pyridinyl)methylamino]-N-prop-2-enylacetamide
CID 115919826
2-(benzylamino)acetohydrazide
CID 15118563
2-(3-phenylpropylsulfanyl)-N-prop-2-enylacetamide
CID 78786828
2-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid
CID 103240670
N-[(4-chlorophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 78908309
N-[(4-bromophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79285936
2-(benzylamino)-N-(2-methoxyethyl)acetamide
CID 54813572
2-[2-oxo-2-(prop-2-enylamino)ethyl]benzoic acid
CID 115923567
N-benzyl-2-(2-methylprop-2-enylamino)acetamide
CID 62331341

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-prop-2-enylacetamide?
The IUPAC name of 2-(benzylamino)-N-prop-2-enylacetamide (CID 11160015) is 2-(benzylamino)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(benzylamino)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(benzylamino)-N-prop-2-enylacetamide is C=CCNC(=O)CNCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-N-prop-2-enylacetamide?
The InChIKey is INTMTSITGQNNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-8-14-12(15)10-13-9-11-6-4-3-5-7-11/h2-7,13H,1,8-10H2,(H,14,15).
What are the key properties of 2-(benzylamino)-N-prop-2-enylacetamide?
2-(benzylamino)-N-prop-2-enylacetamide has a molecular weight of 204.27 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-prop-2-enylacetamide is sourced from PubChem (CID 11160015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).