4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-prop-2-enylbenzamide

C19H25N3O2 — CID 119740957

IUPAC4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C19H25N3O2/c1-2-9-20-19(24)14-3-5-15(6-4-14)22-18(23)12-13-10-16-7-8-17(11-13)21-16/h2-6,13,16-17,21H,1,7-12H2,(H,20,24)(H,22,23)
InChIKeyVXWSHNLATAFFOI-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.46
Rot. Bonds6

About 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-prop-2-enylbenzamide

4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-prop-2-enylbenzamide (PubChem CID 119740957) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-prop-2-enylbenzamide
PubChem CID119740957
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C19H25N3O2/c1-2-9-20-19(24)14-3-5-15(6-4-14)22-18(23)12-13-10-16-7-8-17(11-13)21-16/h2-6,13,16-17,21H,1,7-12H2,(H,20,24)(H,22,23)
InChIKeyVXWSHNLATAFFOI-UHFFFAOYSA-N
XLogP2.46
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 119738252
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride
CID 119735821
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-bromoanilino)-2-oxoethyl]acetamide
CID 119738014
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 119685267
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride
CID 119868270
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propylphenyl)acetamide
CID 79609820
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672808
N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]benzamide
CID 119709596
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 119712383
N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]-4-fluorobenzamide
CID 119782993
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119759073
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-pyridin-4-yloxyphenyl)acetamide
CID 119867855

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-prop-2-enylbenzamide?
The IUPAC name of 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-prop-2-enylbenzamide (CID 119740957) is 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1.
What is the InChIKey of 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-prop-2-enylbenzamide?
The InChIKey is VXWSHNLATAFFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-9-20-19(24)14-3-5-15(6-4-14)22-18(23)12-13-10-16-7-8-17(11-13)21-16/h2-6,13,16-17,21H,1,7-12H2,(H,20,24)(H,22,23).
What are the key properties of 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-prop-2-enylbenzamide?
4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-prop-2-enylbenzamide has a molecular weight of 327.43 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 119740957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).