4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide

C20H24N2O3 — CID 119300251

IUPAC4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(CN)cc2)c(OCC2CCCO2)c1
InChIInChI=1S/C20H24N2O3/c1-14-4-9-18(19(11-14)25-13-17-3-2-10-24-17)22-20(23)16-7-5-15(12-21)6-8-16/h4-9,11,17H,2-3,10,12-13,21H2,1H3,(H,22,23)
InChIKeyLRFIBCAVGYQLLN-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.26
Rot. Bonds6

About 4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide

4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide (PubChem CID 119300251) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide
PubChem CID119300251
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(CN)cc2)c(OCC2CCCO2)c1
InChIInChI=1S/C20H24N2O3/c1-14-4-9-18(19(11-14)25-13-17-3-2-10-24-17)22-20(23)16-7-5-15(12-21)6-8-16/h4-9,11,17H,2-3,10,12-13,21H2,1H3,(H,22,23)
InChIKeyLRFIBCAVGYQLLN-UHFFFAOYSA-N
XLogP3.26
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide
CID 166192418
6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide
CID 60574803
5-[[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]furan-2-carboxylic acid
CID 129466833
4-(aminomethyl)-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide;hydrochloride
CID 119339674
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
4-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-3-nitrobenzamide
CID 60574876
N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-5-nitrofuran-2-carboxamide
CID 94646470
4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119182039
7-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]heptanamide
CID 119743232
3-methyl-N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide
CID 94621924
1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95259007
2-ethyl-5-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]furan-3-carboxylic acid
CID 120821321

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide (CID 119300251) is 4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide is Cc1ccc(NC(=O)c2ccc(CN)cc2)c(OCC2CCCO2)c1.
What is the InChIKey of 4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide?
The InChIKey is LRFIBCAVGYQLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-4-9-18(19(11-14)25-13-17-3-2-10-24-17)22-20(23)16-7-5-15(12-21)6-8-16/h4-9,11,17H,2-3,10,12-13,21H2,1H3,(H,22,23).
What are the key properties of 4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide?
4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide has a molecular weight of 340.42 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 119300251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).