5-ethyl-2-methyl-N-[1-[3-[(E)-1-(4-oxopentylamino)prop-1-en-2-yl]naphthalen-1-yl]ethyl]benzamide;methane

C31H40N2O2 — CID 171628493

IUPAC5-ethyl-2-methyl-N-[1-[3-[(E)-1-(4-oxopentylamino)prop-1-en-2-yl]naphthalen-1-yl]ethyl]benzamide;methane
SMILESC.CCc1ccc(C)c(C(=O)NC(C)c2cc(/C(C)=C/NCCCC(C)=O)cc3ccccc23)c1
InChIInChI=1S/C30H36N2O2.CH4/c1-6-24-14-13-20(2)28(16-24)30(34)32-23(5)29-18-26(17-25-11-7-8-12-27(25)29)21(3)19-31-15-9-10-22(4)33;/h7-8,11-14,16-19,23,31H,6,9-10,15H2,1-5H3,(H,32,34);1H4/b21-19+;
InChIKeyQLDWYOMGIZZSOX-UXJRWBAGSA-N
MW472.67 g/mol
LogP7.16
Rot. Bonds10

About 5-ethyl-2-methyl-N-[1-[3-[(E)-1-(4-oxopentylamino)prop-1-en-2-yl]naphthalen-1-yl]ethyl]benzamide;methane

5-ethyl-2-methyl-N-[1-[3-[(E)-1-(4-oxopentylamino)prop-1-en-2-yl]naphthalen-1-yl]ethyl]benzamide;methane (PubChem CID 171628493) has the molecular formula C31H40N2O2 and a molecular weight of 472.67 g/mol. Its IUPAC name is 5-ethyl-2-methyl-N-[1-[3-[(E)-1-(4-oxopentylamino)prop-1-en-2-yl]naphthalen-1-yl]ethyl]benzamide;methane.

Molecular Properties

Compound Name5-ethyl-2-methyl-N-[1-[3-[(E)-1-(4-oxopentylamino)prop-1-en-2-yl]naphthalen-1-yl]ethyl]benzamide;methane
PubChem CID171628493
Molecular FormulaC31H40N2O2
Molecular Weight472.67 g/mol
Exact Mass472.31
IUPAC Name5-ethyl-2-methyl-N-[1-[3-[(E)-1-(4-oxopentylamino)prop-1-en-2-yl]naphthalen-1-yl]ethyl]benzamide;methane
SMILESC.CCc1ccc(C)c(C(=O)NC(C)c2cc(/C(C)=C/NCCCC(C)=O)cc3ccccc23)c1
InChIInChI=1S/C30H36N2O2.CH4/c1-6-24-14-13-20(2)28(16-24)30(34)32-23(5)29-18-26(17-25-11-7-8-12-27(25)29)21(3)19-31-15-9-10-22(4)33;/h7-8,11-14,16-19,23,31H,6,9-10,15H2,1-5H3,(H,32,34);1H4/b21-19+;
InChIKeyQLDWYOMGIZZSOX-UXJRWBAGSA-N
XLogP7.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.67
LogP ≤ 57.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylbenzamide
CID 165115788
1-[[4-methyl-3-(1-naphthalen-1-ylethylcarbamoyl)phenyl]methyl]azetidine-3-carboxylic acid
CID 174237502
5-(4-aminobutanoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231625
ethane;hexan-2-one;1-(2-methyl-5-prop-2-ynylphenyl)prop-2-yn-1-one;1-(4-propan-2-ylnaphthalen-2-yl)ethanone
CID 171628471
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyridin-3-ylbenzamide
CID 165116197
N-[1-(3-bromonaphthalen-1-yl)ethyl]-5-cyano-2-methylbenzamide
CID 171792215
5-(benzylcarbamoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231845
5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231513
5-[hept-1-en-4-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 178174489
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 165116052
N-[1-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 17326783

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-N-[1-[3-[(E)-1-(4-oxopentylamino)prop-1-en-2-yl]naphthalen-1-yl]ethyl]benzamide;methane?
The IUPAC name of 5-ethyl-2-methyl-N-[1-[3-[(E)-1-(4-oxopentylamino)prop-1-en-2-yl]naphthalen-1-yl]ethyl]benzamide;methane (CID 171628493) is 5-ethyl-2-methyl-N-[1-[3-[(E)-1-(4-oxopentylamino)prop-1-en-2-yl]naphthalen-1-yl]ethyl]benzamide;methane.
What is the SMILES notation for 5-ethyl-2-methyl-N-[1-[3-[(E)-1-(4-oxopentylamino)prop-1-en-2-yl]naphthalen-1-yl]ethyl]benzamide;methane?
The canonical SMILES for 5-ethyl-2-methyl-N-[1-[3-[(E)-1-(4-oxopentylamino)prop-1-en-2-yl]naphthalen-1-yl]ethyl]benzamide;methane is C.CCc1ccc(C)c(C(=O)NC(C)c2cc(/C(C)=C/NCCCC(C)=O)cc3ccccc23)c1.
What is the InChIKey of 5-ethyl-2-methyl-N-[1-[3-[(E)-1-(4-oxopentylamino)prop-1-en-2-yl]naphthalen-1-yl]ethyl]benzamide;methane?
The InChIKey is QLDWYOMGIZZSOX-UXJRWBAGSA-N. The full InChI is InChI=1S/C30H36N2O2.CH4/c1-6-24-14-13-20(2)28(16-24)30(34)32-23(5)29-18-26(17-25-11-7-8-12-27(25)29)21(3)19-31-15-9-10-22(4)33;/h7-8,11-14,16-19,23,31H,6,9-10,15H2,1-5H3,(H,32,34);1H4/b21-19+;.
What are the key properties of 5-ethyl-2-methyl-N-[1-[3-[(E)-1-(4-oxopentylamino)prop-1-en-2-yl]naphthalen-1-yl]ethyl]benzamide;methane?
5-ethyl-2-methyl-N-[1-[3-[(E)-1-(4-oxopentylamino)prop-1-en-2-yl]naphthalen-1-yl]ethyl]benzamide;methane has a molecular weight of 472.67 g/mol, XLogP of 7.16, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-N-[1-[3-[(E)-1-(4-oxopentylamino)prop-1-en-2-yl]naphthalen-1-yl]ethyl]benzamide;methane is sourced from PubChem (CID 171628493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).