N-[2-(ethylaminomethyl)phenyl]-3-(2-methylpropoxy)benzamide;hydrochloride

C20H27ClN2O2 — CID 119439604

IUPACN-[2-(ethylaminomethyl)phenyl]-3-(2-methylpropoxy)benzamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1cccc(OCC(C)C)c1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-4-21-13-17-8-5-6-11-19(17)22-20(23)16-9-7-10-18(12-16)24-14-15(2)3;/h5-12,15,21H,4,13-14H2,1-3H3,(H,22,23);1H
InChIKeyXTMIDBDVLLLATQ-UHFFFAOYSA-N
MW362.90 g/mol
LogP4.51
Rot. Bonds8

About N-[2-(ethylaminomethyl)phenyl]-3-(2-methylpropoxy)benzamide;hydrochloride

N-[2-(ethylaminomethyl)phenyl]-3-(2-methylpropoxy)benzamide;hydrochloride (PubChem CID 119439604) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-3-(2-methylpropoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-3-(2-methylpropoxy)benzamide;hydrochloride
PubChem CID119439604
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-3-(2-methylpropoxy)benzamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1cccc(OCC(C)C)c1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-4-21-13-17-8-5-6-11-19(17)22-20(23)16-9-7-10-18(12-16)24-14-15(2)3;/h5-12,15,21H,4,13-14H2,1-3H3,(H,22,23);1H
InChIKeyXTMIDBDVLLLATQ-UHFFFAOYSA-N
XLogP4.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide
CID 959928
2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide
CID 17140344
N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 119439493
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethoxybenzamide
CID 119438730
3-butoxy-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074307
N-tert-butyl-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17140330
N-[2-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142483
N-(5-amino-2-methylphenyl)-3-(2-methylpropoxy)benzamide;hydrochloride
CID 120568798
3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119438964
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride
CID 119440699
N-(4-anilinophenyl)-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17140337

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3-(2-methylpropoxy)benzamide;hydrochloride?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3-(2-methylpropoxy)benzamide;hydrochloride (CID 119439604) is N-[2-(ethylaminomethyl)phenyl]-3-(2-methylpropoxy)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-3-(2-methylpropoxy)benzamide;hydrochloride?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-3-(2-methylpropoxy)benzamide;hydrochloride is CCNCc1ccccc1NC(=O)c1cccc(OCC(C)C)c1.Cl.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-3-(2-methylpropoxy)benzamide;hydrochloride?
The InChIKey is XTMIDBDVLLLATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2.ClH/c1-4-21-13-17-8-5-6-11-19(17)22-20(23)16-9-7-10-18(12-16)24-14-15(2)3;/h5-12,15,21H,4,13-14H2,1-3H3,(H,22,23);1H.
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-3-(2-methylpropoxy)benzamide;hydrochloride?
N-[2-(ethylaminomethyl)phenyl]-3-(2-methylpropoxy)benzamide;hydrochloride has a molecular weight of 362.90 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-3-(2-methylpropoxy)benzamide;hydrochloride is sourced from PubChem (CID 119439604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).