N-(3-methoxy-2,4-dimethylphenyl)prop-2-enamide

C12H15NO2 — CID 43696159

IUPACN-(3-methoxy-2,4-dimethylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C)c(OC)c1C
InChIInChI=1S/C12H15NO2/c1-5-11(14)13-10-7-6-8(2)12(15-4)9(10)3/h5-7H,1H2,2-4H3,(H,13,14)
InChIKeyHKANSGHGWWIMBA-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.44
Rot. Bonds3

About N-(3-methoxy-2,4-dimethylphenyl)prop-2-enamide

N-(3-methoxy-2,4-dimethylphenyl)prop-2-enamide (PubChem CID 43696159) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(3-methoxy-2,4-dimethylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-methoxy-2,4-dimethylphenyl)prop-2-enamide
PubChem CID43696159
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-(3-methoxy-2,4-dimethylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C)c(OC)c1C
InChIInChI=1S/C12H15NO2/c1-5-11(14)13-10-7-6-8(2)12(15-4)9(10)3/h5-7H,1H2,2-4H3,(H,13,14)
InChIKeyHKANSGHGWWIMBA-UHFFFAOYSA-N
XLogP2.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-(3-methoxy-2,4-dimethylphenyl)acetamide
CID 62726523
(2S)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)propanamide
CID 61147125
N-(3-methoxy-2,4-dimethylphenyl)-4-(methylamino)butanamide
CID 60842237
4-(3-methoxy-2,4-dimethylanilino)-4-oxobutanoic acid
CID 54868313
4-amino-N-(3-methoxy-2,4-dimethylphenyl)benzamide
CID 43697374
4-(3-methoxy-2,4-dimethylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103497339
(2R)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)-3-methylbutanamide
CID 79011717
N-(3-methoxy-2,4-dimethylphenyl)formamide
CID 64992554
4-hydroxy-N-(3-methoxy-2,4-dimethylphenyl)pentanamide
CID 79203586
5-hydroxy-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide
CID 63860127
4-chloro-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide
CID 81227385
N-(3-methoxy-2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119728792

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,4-dimethylphenyl)prop-2-enamide?
The IUPAC name of N-(3-methoxy-2,4-dimethylphenyl)prop-2-enamide (CID 43696159) is N-(3-methoxy-2,4-dimethylphenyl)prop-2-enamide.
What is the SMILES notation for N-(3-methoxy-2,4-dimethylphenyl)prop-2-enamide?
The canonical SMILES for N-(3-methoxy-2,4-dimethylphenyl)prop-2-enamide is C=CC(=O)Nc1ccc(C)c(OC)c1C.
What is the InChIKey of N-(3-methoxy-2,4-dimethylphenyl)prop-2-enamide?
The InChIKey is HKANSGHGWWIMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-5-11(14)13-10-7-6-8(2)12(15-4)9(10)3/h5-7H,1H2,2-4H3,(H,13,14).
What are the key properties of N-(3-methoxy-2,4-dimethylphenyl)prop-2-enamide?
N-(3-methoxy-2,4-dimethylphenyl)prop-2-enamide has a molecular weight of 205.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,4-dimethylphenyl)prop-2-enamide is sourced from PubChem (CID 43696159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).