3-amino-N-[4-(prop-2-enylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

C18H23N3O2 — CID 119740941

IUPAC3-amino-N-[4-(prop-2-enylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESC=CCNC(=O)c1ccc(NC(=O)C2C3CCC(C3)C2N)cc1
InChIInChI=1S/C18H23N3O2/c1-2-9-20-17(22)11-5-7-14(8-6-11)21-18(23)15-12-3-4-13(10-12)16(15)19/h2,5-8,12-13,15-16H,1,3-4,9-10,19H2,(H,20,22)(H,21,23)
InChIKeyAUJRHZNHUWURNX-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.91
Rot. Bonds5

About 3-amino-N-[4-(prop-2-enylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[4-(prop-2-enylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119740941) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-amino-N-[4-(prop-2-enylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(prop-2-enylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119740941
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-amino-N-[4-(prop-2-enylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESC=CCNC(=O)c1ccc(NC(=O)C2C3CCC(C3)C2N)cc1
InChIInChI=1S/C18H23N3O2/c1-2-9-20-17(22)11-5-7-14(8-6-11)21-18(23)15-12-3-4-13(10-12)16(15)19/h2,5-8,12-13,15-16H,1,3-4,9-10,19H2,(H,20,22)(H,21,23)
InChIKeyAUJRHZNHUWURNX-UHFFFAOYSA-N
XLogP1.91
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.91
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

3-amino-N-[4-(ethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119714116
3-amino-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119726164
3-amino-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119827836
3-amino-N-[4-(phenylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119756435
3-amino-N-[4-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119684897
3-[[4-(prop-2-enylcarbamoyl)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 56796384
4-[(2-hydroxycyclopentanecarbonyl)amino]-N-prop-2-enylbenzamide
CID 110015373
ethyl 2-[[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]benzoyl]amino]propanoate
CID 119806763
4-[(4-aminocyclohexyl)amino]-N-prop-2-enylbenzamide
CID 79730453
N-[4-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60927170
3-amino-N-[2-[(4-fluorobenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119742025
4-hydrazinyl-N-prop-2-enylbenzamide
CID 138742315

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(prop-2-enylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[4-(prop-2-enylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119740941) is 3-amino-N-[4-(prop-2-enylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(prop-2-enylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-(prop-2-enylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is C=CCNC(=O)c1ccc(NC(=O)C2C3CCC(C3)C2N)cc1.
What is the InChIKey of 3-amino-N-[4-(prop-2-enylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is AUJRHZNHUWURNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-9-20-17(22)11-5-7-14(8-6-11)21-18(23)15-12-3-4-13(10-12)16(15)19/h2,5-8,12-13,15-16H,1,3-4,9-10,19H2,(H,20,22)(H,21,23).
What are the key properties of 3-amino-N-[4-(prop-2-enylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[4-(prop-2-enylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(prop-2-enylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119740941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).