4-(2-cyanophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide

C23H24N2O2 — CID 44572047

IUPAC4-(2-cyanophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESN#Cc1ccccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1
InChIInChI=1S/C23H24N2O2/c24-14-20-4-1-2-6-22(20)18-9-11-19(12-10-18)23(26)25(15-17-7-8-17)16-21-5-3-13-27-21/h1-2,4,6,9-12,17,21H,3,5,7-8,13,15-16H2
InChIKeyRCODJHGOJWANAW-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.26
Rot. Bonds6

About 4-(2-cyanophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide

4-(2-cyanophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 44572047) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-(2-cyanophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(2-cyanophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID44572047
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name4-(2-cyanophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESN#Cc1ccccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1
InChIInChI=1S/C23H24N2O2/c24-14-20-4-1-2-6-22(20)18-9-11-19(12-10-18)23(26)25(15-17-7-8-17)16-21-5-3-13-27-21/h1-2,4,6,9-12,17,21H,3,5,7-8,13,15-16H2
InChIKeyRCODJHGOJWANAW-UHFFFAOYSA-N
XLogP4.26
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-[[(2R)-oxolan-2-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94817152
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42595629
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
2-[4-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]phenyl]benzonitrile
CID 60585190
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
N-(cyclobutylmethyl)-4-(3,6-dimethylpyrazin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126425817
3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 3347701
3-(2-cyanophenyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
CID 126424383
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
4-methoxy-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42527604
N-ethyl-4-(4-methoxy-2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 126443399
N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 95225190

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-(2-cyanophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide (CID 44572047) is 4-(2-cyanophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(2-cyanophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-(2-cyanophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide is N#Cc1ccccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1.
What is the InChIKey of 4-(2-cyanophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is RCODJHGOJWANAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c24-14-20-4-1-2-6-22(20)18-9-11-19(12-10-18)23(26)25(15-17-7-8-17)16-21-5-3-13-27-21/h1-2,4,6,9-12,17,21H,3,5,7-8,13,15-16H2.
What are the key properties of 4-(2-cyanophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide?
4-(2-cyanophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 360.46 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 44572047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).