2-amino-N-hexa-2,4-dien-2-yl-2-(4-methylphenyl)acetamide

C15H20N2O — CID 123450915

IUPAC2-amino-N-hexa-2,4-dien-2-yl-2-(4-methylphenyl)acetamide
SMILESCC=CC=C(C)NC(=O)C(N)c1ccc(C)cc1
InChIInChI=1S/C15H20N2O/c1-4-5-6-12(3)17-15(18)14(16)13-9-7-11(2)8-10-13/h4-10,14H,16H2,1-3H3,(H,17,18)
InChIKeyUNBUIOBWCRCYJC-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.59
Rot. Bonds4

About 2-amino-N-hexa-2,4-dien-2-yl-2-(4-methylphenyl)acetamide

2-amino-N-hexa-2,4-dien-2-yl-2-(4-methylphenyl)acetamide (PubChem CID 123450915) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-amino-N-hexa-2,4-dien-2-yl-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-hexa-2,4-dien-2-yl-2-(4-methylphenyl)acetamide
PubChem CID123450915
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-amino-N-hexa-2,4-dien-2-yl-2-(4-methylphenyl)acetamide
SMILESCC=CC=C(C)NC(=O)C(N)c1ccc(C)cc1
InChIInChI=1S/C15H20N2O/c1-4-5-6-12(3)17-15(18)14(16)13-9-7-11(2)8-10-13/h4-10,14H,16H2,1-3H3,(H,17,18)
InChIKeyUNBUIOBWCRCYJC-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide
CID 106151324
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-(4-methylphenyl)acetamide
CID 106151577
2-amino-2-(4-methylphenyl)-N-[2-(4-methylphenyl)propyl]acetamide
CID 120668682
2-amino-N-butan-2-yl-2-(4-methylphenyl)acetamide
CID 106151030
N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]-2-methylpropanamide
CID 120666693
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-2-methylbutanoic acid
CID 106312699
(2R)-2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]-2-phenylacetamide
CID 81357033
2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114150555
2-amino-2-(4-methylphenyl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 120666535
2-amino-N-(5-methylhexan-2-yl)-2-(4-methylphenyl)acetamide
CID 106151106
2-amino-2-(4-methylphenyl)-N-(6-methylsulfanylhexyl)acetamide
CID 106312957

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-hexa-2,4-dien-2-yl-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-hexa-2,4-dien-2-yl-2-(4-methylphenyl)acetamide (CID 123450915) is 2-amino-N-hexa-2,4-dien-2-yl-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-hexa-2,4-dien-2-yl-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-hexa-2,4-dien-2-yl-2-(4-methylphenyl)acetamide is CC=CC=C(C)NC(=O)C(N)c1ccc(C)cc1.
What is the InChIKey of 2-amino-N-hexa-2,4-dien-2-yl-2-(4-methylphenyl)acetamide?
The InChIKey is UNBUIOBWCRCYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-5-6-12(3)17-15(18)14(16)13-9-7-11(2)8-10-13/h4-10,14H,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-N-hexa-2,4-dien-2-yl-2-(4-methylphenyl)acetamide?
2-amino-N-hexa-2,4-dien-2-yl-2-(4-methylphenyl)acetamide has a molecular weight of 244.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-hexa-2,4-dien-2-yl-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 123450915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).