N-methyl-N-(4-octoxyphenyl)prop-2-enamide

C18H27NO2 — CID 134245809

IUPACN-methyl-N-(4-octoxyphenyl)prop-2-enamide
SMILESC=CC(=O)N(C)c1ccc(OCCCCCCCC)cc1
InChIInChI=1S/C18H27NO2/c1-4-6-7-8-9-10-15-21-17-13-11-16(12-14-17)19(3)18(20)5-2/h5,11-14H,2,4,6-10,15H2,1,3H3
InChIKeyDJGOOEAKLOGIEL-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.57
Rot. Bonds10

About N-methyl-N-(4-octoxyphenyl)prop-2-enamide

N-methyl-N-(4-octoxyphenyl)prop-2-enamide (PubChem CID 134245809) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-methyl-N-(4-octoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-(4-octoxyphenyl)prop-2-enamide
PubChem CID134245809
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-methyl-N-(4-octoxyphenyl)prop-2-enamide
SMILESC=CC(=O)N(C)c1ccc(OCCCCCCCC)cc1
InChIInChI=1S/C18H27NO2/c1-4-6-7-8-9-10-15-21-17-13-11-16(12-14-17)19(3)18(20)5-2/h5,11-14H,2,4,6-10,15H2,1,3H3
InChIKeyDJGOOEAKLOGIEL-UHFFFAOYSA-N
XLogP4.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.57
H-Bond Donors ≤ 50
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

N-methyl-N-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenyl]acetamide
CID 102225702
(4-hexadecoxyphenyl) prop-2-enoate
CID 141237346
(4-hexoxyphenyl) prop-2-enoate
CID 71357716
4-hexoxy-N,N-dimethylaniline
CID 19782341
[4-(4-octadecoxyphenyl)phenyl] prop-2-enoate
CID 122382243
4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline
CID 18996788
N-(2-butoxyquinolin-6-yl)-N-methylprop-2-enamide
CID 170199318
methyl N-fluoro-N-(4-octoxyphenyl)carbamate
CID 156795675
N-[3-[4-(4-butoxyphenyl)phenyl]propyl]-N-methylprop-2-enamide
CID 134246358
1,4-di(pentacontoxy)benzene
CID 88721659
1,4-di(tetradecoxy)benzene
CID 57023723
4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline
CID 139670157

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-octoxyphenyl)prop-2-enamide?
The IUPAC name of N-methyl-N-(4-octoxyphenyl)prop-2-enamide (CID 134245809) is N-methyl-N-(4-octoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-methyl-N-(4-octoxyphenyl)prop-2-enamide?
The canonical SMILES for N-methyl-N-(4-octoxyphenyl)prop-2-enamide is C=CC(=O)N(C)c1ccc(OCCCCCCCC)cc1.
What is the InChIKey of N-methyl-N-(4-octoxyphenyl)prop-2-enamide?
The InChIKey is DJGOOEAKLOGIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-6-7-8-9-10-15-21-17-13-11-16(12-14-17)19(3)18(20)5-2/h5,11-14H,2,4,6-10,15H2,1,3H3.
What are the key properties of N-methyl-N-(4-octoxyphenyl)prop-2-enamide?
N-methyl-N-(4-octoxyphenyl)prop-2-enamide has a molecular weight of 289.42 g/mol, XLogP of 4.57, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-octoxyphenyl)prop-2-enamide is sourced from PubChem (CID 134245809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).