3-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide

C16H18N2O2 — CID 47209992

IUPAC3-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
SMILESN#Cc1cccc(C(=O)N(CC2CCOC2)C2CC2)c1
InChIInChI=1S/C16H18N2O2/c17-9-12-2-1-3-14(8-12)16(19)18(15-4-5-15)10-13-6-7-20-11-13/h1-3,8,13,15H,4-7,10-11H2
InChIKeyKMRGWOUBLJYASQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.20
Rot. Bonds4

About 3-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide

3-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 47209992) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
PubChem CID47209992
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
SMILESN#Cc1cccc(C(=O)N(CC2CCOC2)C2CC2)c1
InChIInChI=1S/C16H18N2O2/c17-9-12-2-1-3-14(8-12)16(19)18(15-4-5-15)10-13-6-7-20-11-13/h1-3,8,13,15H,4-7,10-11H2
InChIKeyKMRGWOUBLJYASQ-UHFFFAOYSA-N
XLogP2.20
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 93318244
2-[(3-cyanobenzoyl)-cyclopropylamino]acetic acid
CID 54946205
4-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 54904600
N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 129365728
3-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 37484481
4-amino-N-cyclopropyl-3-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 104782633
6-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 55052541
N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzamide
CID 95054883
3-cyano-N-cyclopentyl-N-cyclopropylbenzamide
CID 110872922
1-(3-cyanophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide
CID 71977809
N-(4-aminocyclohexyl)-3-cyano-N-methylbenzamide
CID 79121217
3-cyano-N-piperidin-4-yl-N-propylbenzamide
CID 60806422

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of 3-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide (CID 47209992) is 3-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for 3-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for 3-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide is N#Cc1cccc(C(=O)N(CC2CCOC2)C2CC2)c1.
What is the InChIKey of 3-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is KMRGWOUBLJYASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-9-12-2-1-3-14(8-12)16(19)18(15-4-5-15)10-13-6-7-20-11-13/h1-3,8,13,15H,4-7,10-11H2.
What are the key properties of 3-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide?
3-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 270.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 47209992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).