2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-prop-2-enylbenzamide

C19H27N3O2 — CID 86911517

IUPAC2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NCC(=O)N1CCCCCCC1
InChIInChI=1S/C19H27N3O2/c1-2-12-20-19(24)16-10-6-7-11-17(16)21-15-18(23)22-13-8-4-3-5-9-14-22/h2,6-7,10-11,21H,1,3-5,8-9,12-15H2,(H,20,24)
InChIKeyQYCSPTGYTPDSHS-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.81
Rot. Bonds6

About 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-prop-2-enylbenzamide

2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-prop-2-enylbenzamide (PubChem CID 86911517) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-prop-2-enylbenzamide
PubChem CID86911517
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NCC(=O)N1CCCCCCC1
InChIInChI=1S/C19H27N3O2/c1-2-12-20-19(24)16-10-6-7-11-17(16)21-15-18(23)22-13-8-4-3-5-9-14-22/h2,6-7,10-11,21H,1,3-5,8-9,12-15H2,(H,20,24)
InChIKeyQYCSPTGYTPDSHS-UHFFFAOYSA-N
XLogP2.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 51260492
2-(propan-2-ylamino)-N-prop-2-enylbenzamide
CID 63101364
N-tert-butyl-2-[[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]amino]benzamide
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2-(2-tert-butylanilino)-1-piperidin-1-ylethanone
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(3R)-1-(4-chlorobenzoyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 39996060
2-piperazin-1-yl-N-prop-2-enylbenzamide
CID 35752648
2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
CID 28580921
1-(azepan-1-yl)-2-[2-(dimethylamino)anilino]ethanone
CID 106759777
2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 43037378
N-(2-oxo-2-piperidin-1-ylethyl)-1-prop-2-enylindole-3-carboxamide
CID 47488355
1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone
CID 43217745

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-prop-2-enylbenzamide (CID 86911517) is 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NCC(=O)N1CCCCCCC1.
What is the InChIKey of 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-prop-2-enylbenzamide?
The InChIKey is QYCSPTGYTPDSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-2-12-20-19(24)16-10-6-7-11-17(16)21-15-18(23)22-13-8-4-3-5-9-14-22/h2,6-7,10-11,21H,1,3-5,8-9,12-15H2,(H,20,24).
What are the key properties of 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-prop-2-enylbenzamide?
2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-prop-2-enylbenzamide has a molecular weight of 329.44 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 86911517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).