3-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N,4-trimethylbenzamide

C17H22N2O — CID 43783528

IUPAC3-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NC1CC2CC=CC21
InChIInChI=1S/C17H22N2O/c1-11-7-8-13(17(20)19(2)3)10-15(11)18-16-9-12-5-4-6-14(12)16/h4,6-8,10,12,14,16,18H,5,9H2,1-3H3
InChIKeyKFELOZWOZSPMLZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.07
Rot. Bonds3

About 3-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N,4-trimethylbenzamide

3-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N,4-trimethylbenzamide (PubChem CID 43783528) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N,4-trimethylbenzamide.

Molecular Properties

Compound Name3-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N,4-trimethylbenzamide
PubChem CID43783528
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NC1CC2CC=CC21
InChIInChI=1S/C17H22N2O/c1-11-7-8-13(17(20)19(2)3)10-15(11)18-16-9-12-5-4-6-14(12)16/h4,6-8,10,12,14,16,18H,5,9H2,1-3H3
InChIKeyKFELOZWOZSPMLZ-UHFFFAOYSA-N
XLogP3.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N,4-trimethyl-3-[(2-methylthian-3-yl)amino]benzamide
CID 79956560
N,N,4-trimethyl-3-(piperidin-4-ylamino)benzamide
CID 54902739
3-[(2,2-dimethylcyclopentyl)amino]-N,N,4-trimethylbenzamide
CID 79860799
N,N,4-trimethyl-3-(propanoylamino)benzamide
CID 60650905
3-(azepan-4-ylamino)-N,N,4-trimethylbenzamide
CID 103981185
N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylphenyl]methanesulfonamide
CID 43790084
N,N,4-trimethyl-3-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119719084
3-(3-chloropropanoylamino)-N,N,4-trimethylbenzamide
CID 43698528
N,N,4-trimethyl-3-(propan-2-ylsulfonylamino)benzamide
CID 62999680
N,N,4-trimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119719098
N,N,4-trimethyl-3-(oxolan-3-ylmethylamino)benzamide
CID 43695009
3-amino-4-[(2-ethylcyclopropyl)amino]-N,N-dimethylbenzamide
CID 114107499

Frequently Asked Questions

What is the IUPAC name of 3-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N,4-trimethylbenzamide?
The IUPAC name of 3-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N,4-trimethylbenzamide (CID 43783528) is 3-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N,4-trimethylbenzamide.
What is the SMILES notation for 3-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N,4-trimethylbenzamide?
The canonical SMILES for 3-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N,4-trimethylbenzamide is Cc1ccc(C(=O)N(C)C)cc1NC1CC2CC=CC21.
What is the InChIKey of 3-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N,4-trimethylbenzamide?
The InChIKey is KFELOZWOZSPMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11-7-8-13(17(20)19(2)3)10-15(11)18-16-9-12-5-4-6-14(12)16/h4,6-8,10,12,14,16,18H,5,9H2,1-3H3.
What are the key properties of 3-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N,4-trimethylbenzamide?
3-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N,4-trimethylbenzamide has a molecular weight of 270.38 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N,4-trimethylbenzamide is sourced from PubChem (CID 43783528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).