N-[3-(aminomethyl)-5-methylphenyl]prop-2-enamide

C11H14N2O — CID 131209369

IUPACN-[3-(aminomethyl)-5-methylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(C)cc(CN)c1
InChIInChI=1S/C11H14N2O/c1-3-11(14)13-10-5-8(2)4-9(6-10)7-12/h3-6H,1,7,12H2,2H3,(H,13,14)
InChIKeyXODYPDYXAYHIPR-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.58
Rot. Bonds3

About N-[3-(aminomethyl)-5-methylphenyl]prop-2-enamide

N-[3-(aminomethyl)-5-methylphenyl]prop-2-enamide (PubChem CID 131209369) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-methylphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-methylphenyl]prop-2-enamide
PubChem CID131209369
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameN-[3-(aminomethyl)-5-methylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(C)cc(CN)c1
InChIInChI=1S/C11H14N2O/c1-3-11(14)13-10-5-8(2)4-9(6-10)7-12/h3-6H,1,7,12H2,2H3,(H,13,14)
InChIKeyXODYPDYXAYHIPR-UHFFFAOYSA-N
XLogP1.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(aminomethyl)phenyl]prop-2-enamide
CID 82503451
N-[3-(aminomethyl)-4,5-dimethylphenyl]prop-2-enamide
CID 82506736
N-(3-cyano-5-methylphenyl)prop-2-enamide
CID 131071648
N-[4-(aminomethyl)-3-methylphenyl]prop-2-enamide
CID 82504711
N-(4-amino-3-methylphenyl)prop-2-enamide
CID 90104581
N-[5-(aminomethyl)-2-chlorophenyl]prop-2-enamide
CID 82508219
N-(4-acetyl-3,5-dimethylphenyl)prop-2-enamide
CID 139018868
N-[3-(aminomethyl)-5-methylphenyl]-N'-(4-hydroxy-3-methylsulfanylbutan-2-yl)oxamide
CID 167809937
3-(4-methylphenyl)-5-(prop-2-enoylamino)benzoic acid
CID 178084000
N-[3-(4-methylphenyl)phenyl]prop-2-enamide
CID 166431632
N-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide
CID 174817495
N-(2-iodo-5-methyl-3-propylphenyl)prop-2-enamide
CID 121322583

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-methylphenyl]prop-2-enamide?
The IUPAC name of N-[3-(aminomethyl)-5-methylphenyl]prop-2-enamide (CID 131209369) is N-[3-(aminomethyl)-5-methylphenyl]prop-2-enamide.
What is the SMILES notation for N-[3-(aminomethyl)-5-methylphenyl]prop-2-enamide?
The canonical SMILES for N-[3-(aminomethyl)-5-methylphenyl]prop-2-enamide is C=CC(=O)Nc1cc(C)cc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)-5-methylphenyl]prop-2-enamide?
The InChIKey is XODYPDYXAYHIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-3-11(14)13-10-5-8(2)4-9(6-10)7-12/h3-6H,1,7,12H2,2H3,(H,13,14).
What are the key properties of N-[3-(aminomethyl)-5-methylphenyl]prop-2-enamide?
N-[3-(aminomethyl)-5-methylphenyl]prop-2-enamide has a molecular weight of 190.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-5-methylphenyl]prop-2-enamide is sourced from PubChem (CID 131209369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).