2-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methoxypropanamide

C13H18BrN3O3 — CID 120983378

IUPAC2-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C13H18BrN3O3/c1-8-5-9(14)3-4-11(8)17-12(18)6-16-13(19)10(15)7-20-2/h3-5,10H,6-7,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyUZMXPKBTTYCMQR-UHFFFAOYSA-N
MW344.21 g/mol
LogP0.79
Rot. Bonds6

About 2-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methoxypropanamide

2-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methoxypropanamide (PubChem CID 120983378) has the molecular formula C13H18BrN3O3 and a molecular weight of 344.21 g/mol. Its IUPAC name is 2-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methoxypropanamide
PubChem CID120983378
Molecular FormulaC13H18BrN3O3
Molecular Weight344.21 g/mol
Exact Mass343.05
IUPAC Name2-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C13H18BrN3O3/c1-8-5-9(14)3-4-11(8)17-12(18)6-16-13(19)10(15)7-20-2/h3-5,10H,6-7,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyUZMXPKBTTYCMQR-UHFFFAOYSA-N
XLogP0.79
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride
CID 119682559
(2R)-2-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methylbutanamide
CID 26008291
2-amino-N-(2,4-dimethylphenyl)-3-methoxypropanamide
CID 81082397
4-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119269095
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide
CID 17439988
2-amino-N-(5-bromo-2-fluorophenyl)-3-methoxypropanamide
CID 81082239
(2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide
CID 103793966
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide
CID 112761213
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 27781440
methyl 2-[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanylpropanoate
CID 78842832
2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-3-methoxypropanamide
CID 81083240
[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 2539835

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methoxypropanamide (CID 120983378) is 2-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methoxypropanamide is COCC(N)C(=O)NCC(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of 2-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methoxypropanamide?
The InChIKey is UZMXPKBTTYCMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O3/c1-8-5-9(14)3-4-11(8)17-12(18)6-16-13(19)10(15)7-20-2/h3-5,10H,6-7,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methoxypropanamide?
2-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methoxypropanamide has a molecular weight of 344.21 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methoxypropanamide is sourced from PubChem (CID 120983378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).