N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

C14H21BrClN3O3 — CID 119762977

IUPACN-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NCC(=O)Nc1cc(Br)ccc1C.Cl
InChIInChI=1S/C14H20BrN3O3.ClH/c1-10-3-4-11(15)7-12(10)18-14(20)9-17-13(19)8-16-5-6-21-2;/h3-4,7,16H,5-6,8-9H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyNYUBCBDDWHBBEM-UHFFFAOYSA-N
MW394.70 g/mol
LogP1.47
Rot. Bonds8

About N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119762977) has the molecular formula C14H21BrClN3O3 and a molecular weight of 394.70 g/mol. Its IUPAC name is N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119762977
Molecular FormulaC14H21BrClN3O3
Molecular Weight394.70 g/mol
Exact Mass393.05
IUPAC NameN-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NCC(=O)Nc1cc(Br)ccc1C.Cl
InChIInChI=1S/C14H20BrN3O3.ClH/c1-10-3-4-11(15)7-12(10)18-14(20)9-17-13(19)8-16-5-6-21-2;/h3-4,7,16H,5-6,8-9H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyNYUBCBDDWHBBEM-UHFFFAOYSA-N
XLogP1.47
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.70
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamido-5-bromophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119757138
3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylbenzamide
CID 119711741
N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119702529
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 119725790
N-(5-bromo-2-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957842
1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119762937
N-ethyl-4-[[2-(2-methoxyethylamino)acetyl]amino]-3-methylbenzamide;hydrochloride
CID 119714198
3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide
CID 119712036
N-(3-methoxy-2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119728792
N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119762963
N-(2-acetamido-5-methylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119707722
1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119762938

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119762977) is N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)NCC(=O)Nc1cc(Br)ccc1C.Cl.
What is the InChIKey of N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is NYUBCBDDWHBBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O3.ClH/c1-10-3-4-11(15)7-12(10)18-14(20)9-17-13(19)8-16-5-6-21-2;/h3-4,7,16H,5-6,8-9H2,1-2H3,(H,17,19)(H,18,20);1H.
What are the key properties of N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 394.70 g/mol, XLogP of 1.47, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119762977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).