N-[(3,4-dimethylphenyl)methyl]-N-(2-pyridin-3-ylethyl)prop-2-enamide

C19H22N2O — CID 154880665

IUPACN-[(3,4-dimethylphenyl)methyl]-N-(2-pyridin-3-ylethyl)prop-2-enamide
SMILESC=CC(=O)N(CCc1cccnc1)Cc1ccc(C)c(C)c1
InChIInChI=1S/C19H22N2O/c1-4-19(22)21(11-9-17-6-5-10-20-13-17)14-18-8-7-15(2)16(3)12-18/h4-8,10,12-13H,1,9,11,14H2,2-3H3
InChIKeyPAZRNJCWNIYUBL-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.46
Rot. Bonds6

About N-[(3,4-dimethylphenyl)methyl]-N-(2-pyridin-3-ylethyl)prop-2-enamide

N-[(3,4-dimethylphenyl)methyl]-N-(2-pyridin-3-ylethyl)prop-2-enamide (PubChem CID 154880665) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-N-(2-pyridin-3-ylethyl)prop-2-enamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-N-(2-pyridin-3-ylethyl)prop-2-enamide
PubChem CID154880665
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-N-(2-pyridin-3-ylethyl)prop-2-enamide
SMILESC=CC(=O)N(CCc1cccnc1)Cc1ccc(C)c(C)c1
InChIInChI=1S/C19H22N2O/c1-4-19(22)21(11-9-17-6-5-10-20-13-17)14-18-8-7-15(2)16(3)12-18/h4-8,10,12-13H,1,9,11,14H2,2-3H3
InChIKeyPAZRNJCWNIYUBL-UHFFFAOYSA-N
XLogP3.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 166414550
1-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62551189
3-(3,4-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
CID 91761122
N,N-bis(2-phenylethyl)prop-2-enamide
CID 57066259
N-propyl-N-(2-pyridin-3-ylethyl)propanamide
CID 10262913
N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)prop-2-enamide
CID 169304212
1-(3,4-dimethylphenyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
CID 110360929
N-benzyl-N-pentylprop-2-enamide
CID 176825792
1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone
CID 62548685
(E)-4-[methyl(2-pyridin-3-ylethyl)amino]-4-oxobut-2-enoic acid
CID 115177328
1-benzyl-1-prop-2-enyl-3-(2-pyridin-3-ylethyl)urea
CID 87003527
(E)-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobut-2-enoic acid
CID 60951962

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-N-(2-pyridin-3-ylethyl)prop-2-enamide?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-N-(2-pyridin-3-ylethyl)prop-2-enamide (CID 154880665) is N-[(3,4-dimethylphenyl)methyl]-N-(2-pyridin-3-ylethyl)prop-2-enamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-N-(2-pyridin-3-ylethyl)prop-2-enamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-N-(2-pyridin-3-ylethyl)prop-2-enamide is C=CC(=O)N(CCc1cccnc1)Cc1ccc(C)c(C)c1.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-N-(2-pyridin-3-ylethyl)prop-2-enamide?
The InChIKey is PAZRNJCWNIYUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-4-19(22)21(11-9-17-6-5-10-20-13-17)14-18-8-7-15(2)16(3)12-18/h4-8,10,12-13H,1,9,11,14H2,2-3H3.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-N-(2-pyridin-3-ylethyl)prop-2-enamide?
N-[(3,4-dimethylphenyl)methyl]-N-(2-pyridin-3-ylethyl)prop-2-enamide has a molecular weight of 294.40 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-N-(2-pyridin-3-ylethyl)prop-2-enamide is sourced from PubChem (CID 154880665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).