(Z)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-5-phenylpent-2-enamide

C21H23NO — CID 86876341

IUPAC(Z)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-5-phenylpent-2-enamide
SMILESC/C(=C/C(=O)NCC1Cc2ccccc21)CCc1ccccc1
InChIInChI=1S/C21H23NO/c1-16(11-12-17-7-3-2-4-8-17)13-21(23)22-15-19-14-18-9-5-6-10-20(18)19/h2-10,13,19H,11-12,14-15H2,1H3,(H,22,23)/b16-13-
InChIKeyUXLKGVCPOUKYMY-SSZFMOIBSA-N
MW305.42 g/mol
LogP4.02
Rot. Bonds6

About (Z)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-5-phenylpent-2-enamide

(Z)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-5-phenylpent-2-enamide (PubChem CID 86876341) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is (Z)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-5-phenylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-5-phenylpent-2-enamide
PubChem CID86876341
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name(Z)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-5-phenylpent-2-enamide
SMILESC/C(=C/C(=O)NCC1Cc2ccccc21)CCc1ccccc1
InChIInChI=1S/C21H23NO/c1-16(11-12-17-7-3-2-4-8-17)13-21(23)22-15-19-14-18-9-5-6-10-20(18)19/h2-10,13,19H,11-12,14-15H2,1H3,(H,22,23)/b16-13-
InChIKeyUXLKGVCPOUKYMY-SSZFMOIBSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-5-phenylpent-2-enamide with MolForge

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Related Compounds

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-oxobutanamide
CID 60815550
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-[4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-2-oxoethyl]phenyl]acetamide
CID 166214928
(E)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-methyl-5-phenylpent-2-enamide
CID 95287712
(Z)-3-methyl-5-phenyl-N-prop-2-ynylpent-2-enamide
CID 75364637
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpropanamide
CID 60810919
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(propan-2-ylamino)propanamide
CID 60852367
5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methyl-5-oxopentanoic acid
CID 55155028
4-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-2-one
CID 79429274
(Z)-3-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pent-2-enamide
CID 75462488
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylpropanamide
CID 10858934
1-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 97108739
N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-3-methyl-5-phenylpent-2-enamide
CID 72691195

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-5-phenylpent-2-enamide?
The IUPAC name of (Z)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-5-phenylpent-2-enamide (CID 86876341) is (Z)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-5-phenylpent-2-enamide.
What is the SMILES notation for (Z)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-5-phenylpent-2-enamide?
The canonical SMILES for (Z)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-5-phenylpent-2-enamide is C/C(=C/C(=O)NCC1Cc2ccccc21)CCc1ccccc1.
What is the InChIKey of (Z)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-5-phenylpent-2-enamide?
The InChIKey is UXLKGVCPOUKYMY-SSZFMOIBSA-N. The full InChI is InChI=1S/C21H23NO/c1-16(11-12-17-7-3-2-4-8-17)13-21(23)22-15-19-14-18-9-5-6-10-20(18)19/h2-10,13,19H,11-12,14-15H2,1H3,(H,22,23)/b16-13-.
What are the key properties of (Z)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-5-phenylpent-2-enamide?
(Z)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-5-phenylpent-2-enamide has a molecular weight of 305.42 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-5-phenylpent-2-enamide is sourced from PubChem (CID 86876341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).