N-[2-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide;hydrochloride

C18H23ClN2O4 — CID 157076630

IUPACN-[2-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)Nc2ccccc2N(C)C)cc(OC)c1OC.Cl
InChIInChI=1S/C18H22N2O4.ClH/c1-20(2)14-9-7-6-8-13(14)19-18(21)12-10-15(22-3)17(24-5)16(11-12)23-4;/h6-11H,1-5H3,(H,19,21);1H
InChIKeyADAVSPQFHXXSAR-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.45
Rot. Bonds6

About N-[2-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide;hydrochloride

N-[2-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide;hydrochloride (PubChem CID 157076630) has the molecular formula C18H23ClN2O4 and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[2-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide;hydrochloride
PubChem CID157076630
Molecular FormulaC18H23ClN2O4
Molecular Weight366.85 g/mol
Exact Mass366.13
IUPAC NameN-[2-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)Nc2ccccc2N(C)C)cc(OC)c1OC.Cl
InChIInChI=1S/C18H22N2O4.ClH/c1-20(2)14-9-7-6-8-13(14)19-18(21)12-10-15(22-3)17(24-5)16(11-12)23-4;/h6-11H,1-5H3,(H,19,21);1H
InChIKeyADAVSPQFHXXSAR-UHFFFAOYSA-N
XLogP3.45
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 30875501
3,4,5-trimethoxy-N-[2-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]disulfanyl]phenyl]benzamide
CID 4001036
3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875
3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 673819
3,4,5-trimethoxy-N-(2-pyrrol-1-ylphenyl)benzamide
CID 4689852
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
4-bromo-N-[2-(dimethylamino)phenyl]-2-methoxybenzamide
CID 78987938
N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide
CID 3984738
N-(2-butan-2-ylphenyl)-3,4,5-trimethoxybenzamide
CID 11841254
4-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 106760608
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-(2-fluorophenyl)-3-iodo-4,5-dimethoxybenzamide
CID 4552214

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide;hydrochloride?
The IUPAC name of N-[2-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide;hydrochloride (CID 157076630) is N-[2-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide;hydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide;hydrochloride?
The canonical SMILES for N-[2-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide;hydrochloride is COc1cc(C(=O)Nc2ccccc2N(C)C)cc(OC)c1OC.Cl.
What is the InChIKey of N-[2-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide;hydrochloride?
The InChIKey is ADAVSPQFHXXSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4.ClH/c1-20(2)14-9-7-6-8-13(14)19-18(21)12-10-15(22-3)17(24-5)16(11-12)23-4;/h6-11H,1-5H3,(H,19,21);1H.
What are the key properties of N-[2-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide;hydrochloride?
N-[2-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide;hydrochloride has a molecular weight of 366.85 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide;hydrochloride is sourced from PubChem (CID 157076630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).