N-(1-cyclohexa-1,5-dien-1-yl-4-methyl-3-oxopentan-2-yl)-N-(2-methylpropyl)prop-2-enamide

C19H29NO2 — CID 178167981

IUPACN-(1-cyclohexa-1,5-dien-1-yl-4-methyl-3-oxopentan-2-yl)-N-(2-methylpropyl)prop-2-enamide
SMILESC=CC(=O)N(CC(C)C)C(CC1=CCCC=C1)C(=O)C(C)C
InChIInChI=1S/C19H29NO2/c1-6-18(21)20(13-14(2)3)17(19(22)15(4)5)12-16-10-8-7-9-11-16/h6,8,10-11,14-15,17H,1,7,9,12-13H2,2-5H3
InChIKeyLGJWLRJNYWPXBX-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.92
Rot. Bonds8

About N-(1-cyclohexa-1,5-dien-1-yl-4-methyl-3-oxopentan-2-yl)-N-(2-methylpropyl)prop-2-enamide

N-(1-cyclohexa-1,5-dien-1-yl-4-methyl-3-oxopentan-2-yl)-N-(2-methylpropyl)prop-2-enamide (PubChem CID 178167981) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(1-cyclohexa-1,5-dien-1-yl-4-methyl-3-oxopentan-2-yl)-N-(2-methylpropyl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-cyclohexa-1,5-dien-1-yl-4-methyl-3-oxopentan-2-yl)-N-(2-methylpropyl)prop-2-enamide
PubChem CID178167981
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-(1-cyclohexa-1,5-dien-1-yl-4-methyl-3-oxopentan-2-yl)-N-(2-methylpropyl)prop-2-enamide
SMILESC=CC(=O)N(CC(C)C)C(CC1=CCCC=C1)C(=O)C(C)C
InChIInChI=1S/C19H29NO2/c1-6-18(21)20(13-14(2)3)17(19(22)15(4)5)12-16-10-8-7-9-11-16/h6,8,10-11,14-15,17H,1,7,9,12-13H2,2-5H3
InChIKeyLGJWLRJNYWPXBX-UHFFFAOYSA-N
XLogP3.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.92
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-methylpropyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 101152231
(2S)-3-cyclohexa-1,5-dien-1-yl-2-methylpropanal
CID 144910636
3-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpentan-2-one
CID 178167947
2-amino-3-cyclohexa-1,5-dien-1-ylpropanamide
CID 155283352
3-(cyclohexa-1,5-dien-1-ylmethyl)pentan-2-one;ethane
CID 178167995
N-[(1S)-1-cyclohexa-1,5-dien-1-yl-2-(methylamino)-2-oxoethyl]-N-methylprop-2-enamide
CID 176676763
cyclohexa-1,5-dien-1-ylmethyl N-(2-methylpropyl)carbamate
CID 155132308
2-(2-ethyl-3-methylbutyl)cyclohexa-1,3-diene
CID 145230170
S-methyl 2-cyclohexa-1,5-dien-1-ylethanethioate
CID 166895563
N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine
CID 167485874
2-cyclohexa-1,5-dien-1-yl-N-methanethioylacetamide;N-methylmethanamine
CID 143657585
4-cyclohexa-1,5-dien-1-yl-3-[(2R)-piperidin-2-yl]butan-2-one
CID 163729799

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexa-1,5-dien-1-yl-4-methyl-3-oxopentan-2-yl)-N-(2-methylpropyl)prop-2-enamide?
The IUPAC name of N-(1-cyclohexa-1,5-dien-1-yl-4-methyl-3-oxopentan-2-yl)-N-(2-methylpropyl)prop-2-enamide (CID 178167981) is N-(1-cyclohexa-1,5-dien-1-yl-4-methyl-3-oxopentan-2-yl)-N-(2-methylpropyl)prop-2-enamide.
What is the SMILES notation for N-(1-cyclohexa-1,5-dien-1-yl-4-methyl-3-oxopentan-2-yl)-N-(2-methylpropyl)prop-2-enamide?
The canonical SMILES for N-(1-cyclohexa-1,5-dien-1-yl-4-methyl-3-oxopentan-2-yl)-N-(2-methylpropyl)prop-2-enamide is C=CC(=O)N(CC(C)C)C(CC1=CCCC=C1)C(=O)C(C)C.
What is the InChIKey of N-(1-cyclohexa-1,5-dien-1-yl-4-methyl-3-oxopentan-2-yl)-N-(2-methylpropyl)prop-2-enamide?
The InChIKey is LGJWLRJNYWPXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-6-18(21)20(13-14(2)3)17(19(22)15(4)5)12-16-10-8-7-9-11-16/h6,8,10-11,14-15,17H,1,7,9,12-13H2,2-5H3.
What are the key properties of N-(1-cyclohexa-1,5-dien-1-yl-4-methyl-3-oxopentan-2-yl)-N-(2-methylpropyl)prop-2-enamide?
N-(1-cyclohexa-1,5-dien-1-yl-4-methyl-3-oxopentan-2-yl)-N-(2-methylpropyl)prop-2-enamide has a molecular weight of 303.45 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexa-1,5-dien-1-yl-4-methyl-3-oxopentan-2-yl)-N-(2-methylpropyl)prop-2-enamide is sourced from PubChem (CID 178167981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).