N-[(1R)-1-(2-methylphenyl)ethyl]prop-2-enamide

C12H15NO — CID 81374722

IUPACN-[(1R)-1-(2-methylphenyl)ethyl]prop-2-enamide
SMILESC=CC(=O)N[C@H](C)c1ccccc1C
InChIInChI=1S/C12H15NO/c1-4-12(14)13-10(3)11-8-6-5-7-9(11)2/h4-8,10H,1H2,2-3H3,(H,13,14)/t10-/m1/s1
InChIKeyLTGXAYXRQJTMRB-SNVBAGLBSA-N
MW189.26 g/mol
LogP2.36
Rot. Bonds3

About N-[(1R)-1-(2-methylphenyl)ethyl]prop-2-enamide

N-[(1R)-1-(2-methylphenyl)ethyl]prop-2-enamide (PubChem CID 81374722) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is N-[(1R)-1-(2-methylphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methylphenyl)ethyl]prop-2-enamide
PubChem CID81374722
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC NameN-[(1R)-1-(2-methylphenyl)ethyl]prop-2-enamide
SMILESC=CC(=O)N[C@H](C)c1ccccc1C
InChIInChI=1S/C12H15NO/c1-4-12(14)13-10(3)11-8-6-5-7-9(11)2/h4-8,10H,1H2,2-3H3,(H,13,14)/t10-/m1/s1
InChIKeyLTGXAYXRQJTMRB-SNVBAGLBSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-methylphenyl)ethyl]but-2-enamide
CID 78906695
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]prop-2-enamide
CID 167955086
N-[(1R)-1-(2-methylphenyl)ethyl]-2-(prop-2-enylamino)acetamide
CID 81379898
methyl N-[1-(2-methylphenyl)ethyl]carbamate
CID 112683657
2-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide
CID 112685603
2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 81374930
N-[1-(2-methylphenyl)ethyl]-3-oxobutanamide
CID 18071549
N-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide
CID 166405126
N-[1-(1-benzothiophen-3-yl)ethyl]prop-2-enamide
CID 139021172
N-[1-(2-methylphenyl)ethyl]-2-phenylacetamide
CID 59082083
3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
CID 81380300
5-hydroxy-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide
CID 81380310

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methylphenyl)ethyl]prop-2-enamide?
The IUPAC name of N-[(1R)-1-(2-methylphenyl)ethyl]prop-2-enamide (CID 81374722) is N-[(1R)-1-(2-methylphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[(1R)-1-(2-methylphenyl)ethyl]prop-2-enamide?
The canonical SMILES for N-[(1R)-1-(2-methylphenyl)ethyl]prop-2-enamide is C=CC(=O)N[C@H](C)c1ccccc1C.
What is the InChIKey of N-[(1R)-1-(2-methylphenyl)ethyl]prop-2-enamide?
The InChIKey is LTGXAYXRQJTMRB-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15NO/c1-4-12(14)13-10(3)11-8-6-5-7-9(11)2/h4-8,10H,1H2,2-3H3,(H,13,14)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methylphenyl)ethyl]prop-2-enamide?
N-[(1R)-1-(2-methylphenyl)ethyl]prop-2-enamide has a molecular weight of 189.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methylphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 81374722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).