3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride

C14H22ClN3O3 — CID 119729862

IUPAC3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride
SMILESCOCCN(CC(=O)N(C)C)C(=O)c1cccc(N)c1.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-16(2)13(18)10-17(7-8-20-3)14(19)11-5-4-6-12(15)9-11;/h4-6,9H,7-8,10,15H2,1-3H3;1H
InChIKeyYOOCERZXDQNXIP-UHFFFAOYSA-N
MW315.80 g/mol
LogP0.87
Rot. Bonds6

About 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride

3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride (PubChem CID 119729862) has the molecular formula C14H22ClN3O3 and a molecular weight of 315.80 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride
PubChem CID119729862
Molecular FormulaC14H22ClN3O3
Molecular Weight315.80 g/mol
Exact Mass315.13
IUPAC Name3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride
SMILESCOCCN(CC(=O)N(C)C)C(=O)c1cccc(N)c1.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-16(2)13(18)10-17(7-8-20-3)14(19)11-5-4-6-12(15)9-11;/h4-6,9H,7-8,10,15H2,1-3H3;1H
InChIKeyYOOCERZXDQNXIP-UHFFFAOYSA-N
XLogP0.87
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride
CID 120623191
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide
CID 62681504
4-amino-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119729851
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide
CID 61106039
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzamide
CID 115770617
3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide;dihydrochloride
CID 119871098
3-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 119814507
3-amino-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 55001467
2-amino-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 61106038
2-[[3-[ethyl(methyl)carbamoyl]benzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189296
2-(2-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)acetamide
CID 61107155
3-amino-N,N-bis[3-(dimethylamino)propyl]benzamide
CID 11404016

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride (CID 119729862) is 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride is COCCN(CC(=O)N(C)C)C(=O)c1cccc(N)c1.Cl.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride?
The InChIKey is YOOCERZXDQNXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3.ClH/c1-16(2)13(18)10-17(7-8-20-3)14(19)11-5-4-6-12(15)9-11;/h4-6,9H,7-8,10,15H2,1-3H3;1H.
What are the key properties of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride?
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride is sourced from PubChem (CID 119729862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).