N-[3-[3-(aminomethyl)phenyl]prop-2-enyl]acetamide

C12H16N2O — CID 169465154

IUPACN-[3-[3-(aminomethyl)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cccc(CN)c1
InChIInChI=1S/C12H16N2O/c1-10(15)14-7-3-6-11-4-2-5-12(8-11)9-13/h2-6,8H,7,9,13H2,1H3,(H,14,15)
InChIKeyMQOXFEOYFCALAM-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.29
Rot. Bonds4

About N-[3-[3-(aminomethyl)phenyl]prop-2-enyl]acetamide

N-[3-[3-(aminomethyl)phenyl]prop-2-enyl]acetamide (PubChem CID 169465154) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-[3-[3-(aminomethyl)phenyl]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(aminomethyl)phenyl]prop-2-enyl]acetamide
PubChem CID169465154
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-[3-[3-(aminomethyl)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cccc(CN)c1
InChIInChI=1S/C12H16N2O/c1-10(15)14-7-3-6-11-4-2-5-12(8-11)9-13/h2-6,8H,7,9,13H2,1H3,(H,14,15)
InChIKeyMQOXFEOYFCALAM-UHFFFAOYSA-N
XLogP1.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]acetamide
CID 169465046
N-[3-[3-(2-hydroxyethyl)phenyl]prop-2-enyl]acetamide
CID 169465370
N-[3-[3-(carbamoylamino)phenyl]prop-2-enyl]acetamide
CID 169465819
N-[3-[3-(dimethylamino)phenyl]prop-2-enyl]acetamide
CID 169465474
N-[3-(3-trimethylsilylphenyl)prop-2-enyl]acetamide
CID 169465674
N-[3-(3-methylsulfonylphenyl)prop-2-enyl]acetamide
CID 169465681
methyl (E)-3-[3-(aminomethyl)phenyl]prop-2-enoate;hydrochloride
CID 66927514
methyl 2-[3-(3-aminoprop-1-enyl)phenyl]acetate
CID 169464038
N-[3-(3-isothiocyanatophenyl)prop-2-enyl]acetamide
CID 169465438
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
N-[4-[3-(bromomethyl)phenyl]but-3-enyl]acetamide
CID 170489715
tert-butyl N-[3-(3-acetamidoprop-1-enyl)phenyl]carbamate
CID 169466624

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(aminomethyl)phenyl]prop-2-enyl]acetamide?
The IUPAC name of N-[3-[3-(aminomethyl)phenyl]prop-2-enyl]acetamide (CID 169465154) is N-[3-[3-(aminomethyl)phenyl]prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-[3-(aminomethyl)phenyl]prop-2-enyl]acetamide?
The canonical SMILES for N-[3-[3-(aminomethyl)phenyl]prop-2-enyl]acetamide is CC(=O)NCC=Cc1cccc(CN)c1.
What is the InChIKey of N-[3-[3-(aminomethyl)phenyl]prop-2-enyl]acetamide?
The InChIKey is MQOXFEOYFCALAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10(15)14-7-3-6-11-4-2-5-12(8-11)9-13/h2-6,8H,7,9,13H2,1H3,(H,14,15).
What are the key properties of N-[3-[3-(aminomethyl)phenyl]prop-2-enyl]acetamide?
N-[3-[3-(aminomethyl)phenyl]prop-2-enyl]acetamide has a molecular weight of 204.27 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(aminomethyl)phenyl]prop-2-enyl]acetamide is sourced from PubChem (CID 169465154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).