4-[(prop-2-enylamino)methyl]benzamide

C11H14N2O — CID 28563456

IUPAC4-[(prop-2-enylamino)methyl]benzamide
SMILESC=CCNCc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H14N2O/c1-2-7-13-8-9-3-5-10(6-4-9)11(12)14/h2-6,13H,1,7-8H2,(H2,12,14)
InChIKeyIIZSUKBEJJJLCC-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.06
Rot. Bonds5

About 4-[(prop-2-enylamino)methyl]benzamide

4-[(prop-2-enylamino)methyl]benzamide (PubChem CID 28563456) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 4-[(prop-2-enylamino)methyl]benzamide.

Molecular Properties

Compound Name4-[(prop-2-enylamino)methyl]benzamide
PubChem CID28563456
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name4-[(prop-2-enylamino)methyl]benzamide
SMILESC=CCNCc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H14N2O/c1-2-7-13-8-9-3-5-10(6-4-9)11(12)14/h2-6,13H,1,7-8H2,(H2,12,14)
InChIKeyIIZSUKBEJJJLCC-UHFFFAOYSA-N
XLogP1.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
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

4-methyl-3-[4-[(prop-2-enylamino)methyl]phenyl]benzamide
CID 70312424
4-[(2-prop-2-enoxyethylamino)methyl]benzamide
CID 113362799
4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide
CID 43420714
4-[[[amino-(prop-2-enylamino)methylidene]amino]methyl]benzamide
CID 110918617
prop-2-enamide;4-[(prop-2-enylamino)methyl]benzene-1,2-diol
CID 175227935
4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide
CID 60658050
4-[[2-(diethylamino)ethylamino]methyl]benzamide
CID 28580136
(4-carbamoylphenyl)methylcarbamic acid
CID 91190690
4-[(4-methylsulfanylbutylamino)methyl]benzamide
CID 113239088
4-[(5-methylhexylamino)methyl]benzamide
CID 79002955
4-[(2-methylbutylamino)methyl]benzamide
CID 62693490
4-[(furan-3-ylmethylamino)methyl]benzamide
CID 47272463

Frequently Asked Questions

What is the IUPAC name of 4-[(prop-2-enylamino)methyl]benzamide?
The IUPAC name of 4-[(prop-2-enylamino)methyl]benzamide (CID 28563456) is 4-[(prop-2-enylamino)methyl]benzamide.
What is the SMILES notation for 4-[(prop-2-enylamino)methyl]benzamide?
The canonical SMILES for 4-[(prop-2-enylamino)methyl]benzamide is C=CCNCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(prop-2-enylamino)methyl]benzamide?
The InChIKey is IIZSUKBEJJJLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-7-13-8-9-3-5-10(6-4-9)11(12)14/h2-6,13H,1,7-8H2,(H2,12,14).
What are the key properties of 4-[(prop-2-enylamino)methyl]benzamide?
4-[(prop-2-enylamino)methyl]benzamide has a molecular weight of 190.25 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(prop-2-enylamino)methyl]benzamide is sourced from PubChem (CID 28563456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).