2-methyl-N-[3-(N-methylanilino)propyl]prop-2-enamide

C14H20N2O — CID 154634175

IUPAC2-methyl-N-[3-(N-methylanilino)propyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCN(C)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-12(2)14(17)15-10-7-11-16(3)13-8-5-4-6-9-13/h4-6,8-9H,1,7,10-11H2,2-3H3,(H,15,17)
InChIKeyJQSHPJDAJREOGD-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.21
Rot. Bonds6

About 2-methyl-N-[3-(N-methylanilino)propyl]prop-2-enamide

2-methyl-N-[3-(N-methylanilino)propyl]prop-2-enamide (PubChem CID 154634175) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-methyl-N-[3-(N-methylanilino)propyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[3-(N-methylanilino)propyl]prop-2-enamide
PubChem CID154634175
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-methyl-N-[3-(N-methylanilino)propyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCN(C)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-12(2)14(17)15-10-7-11-16(3)13-8-5-4-6-9-13/h4-6,8-9H,1,7,10-11H2,2-3H3,(H,15,17)
InChIKeyJQSHPJDAJREOGD-UHFFFAOYSA-N
XLogP2.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-(N-phenylanilino)ethyl]prop-2-enamide
CID 68579167
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629
2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid
CID 43135762
1-benzyl-3-[3-(N-methylanilino)propyl]urea
CID 3497237
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
N-[4-(dimethylamino)-4-phenylbutyl]-2-methylprop-2-enamide
CID 87329807
2-methyl-2-(methylamino)-N-[3-(N-methylanilino)propyl]propanamide
CID 62834119
2,2,2-trifluoroethyl N-[3-(N-methylanilino)propyl]carbamate
CID 65173936
N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 31316694
3-amino-3-methyl-N-[3-(N-methylanilino)propyl]butanamide
CID 64685522
4-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802898

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(N-methylanilino)propyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[3-(N-methylanilino)propyl]prop-2-enamide (CID 154634175) is 2-methyl-N-[3-(N-methylanilino)propyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[3-(N-methylanilino)propyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[3-(N-methylanilino)propyl]prop-2-enamide is C=C(C)C(=O)NCCCN(C)c1ccccc1.
What is the InChIKey of 2-methyl-N-[3-(N-methylanilino)propyl]prop-2-enamide?
The InChIKey is JQSHPJDAJREOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-12(2)14(17)15-10-7-11-16(3)13-8-5-4-6-9-13/h4-6,8-9H,1,7,10-11H2,2-3H3,(H,15,17).
What are the key properties of 2-methyl-N-[3-(N-methylanilino)propyl]prop-2-enamide?
2-methyl-N-[3-(N-methylanilino)propyl]prop-2-enamide has a molecular weight of 232.33 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(N-methylanilino)propyl]prop-2-enamide is sourced from PubChem (CID 154634175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).