2-amino-N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3-methoxypropanamide

C12H16BrN3O3 — CID 120987982

IUPAC2-amino-N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NC(C(N)=O)c1cccc(Br)c1
InChIInChI=1S/C12H16BrN3O3/c1-19-6-9(14)12(18)16-10(11(15)17)7-3-2-4-8(13)5-7/h2-5,9-10H,6,14H2,1H3,(H2,15,17)(H,16,18)
InChIKeyUVSPFJNENJAGPQ-UHFFFAOYSA-N
MW330.18 g/mol
LogP0.07
Rot. Bonds6

About 2-amino-N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3-methoxypropanamide

2-amino-N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3-methoxypropanamide (PubChem CID 120987982) has the molecular formula C12H16BrN3O3 and a molecular weight of 330.18 g/mol. Its IUPAC name is 2-amino-N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3-methoxypropanamide
PubChem CID120987982
Molecular FormulaC12H16BrN3O3
Molecular Weight330.18 g/mol
Exact Mass329.04
IUPAC Name2-amino-N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NC(C(N)=O)c1cccc(Br)c1
InChIInChI=1S/C12H16BrN3O3/c1-19-6-9(14)12(18)16-10(11(15)17)7-3-2-4-8(13)5-7/h2-5,9-10H,6,14H2,1H3,(H2,15,17)(H,16,18)
InChIKeyUVSPFJNENJAGPQ-UHFFFAOYSA-N
XLogP0.07
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-amino-2-oxo-1-phenylethyl)-3-methoxypropanamide;hydrochloride
CID 120984398
methyl 3-[(2-amino-3-methoxypropanoyl)amino]-3-(3-bromophenyl)propanoate
CID 120987190
2-(3-bromophenyl)-2-(2-methoxyethylamino)acetamide
CID 62540999
N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 95304362
2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride
CID 120987025
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide
CID 81359920
(2S)-2-amino-N-[1-(3-bromophenyl)ethyl]butanamide
CID 79025388
2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983262
2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxypropanamide
CID 120988537
2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide
CID 81083665
2-amino-N-[1-(4-bromophenyl)propyl]-3-methoxypropanamide
CID 81083078
2-(3-bromophenyl)-2-(2-methoxyanilino)acetamide
CID 60995761

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3-methoxypropanamide (CID 120987982) is 2-amino-N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3-methoxypropanamide is COCC(N)C(=O)NC(C(N)=O)c1cccc(Br)c1.
What is the InChIKey of 2-amino-N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3-methoxypropanamide?
The InChIKey is UVSPFJNENJAGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O3/c1-19-6-9(14)12(18)16-10(11(15)17)7-3-2-4-8(13)5-7/h2-5,9-10H,6,14H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 2-amino-N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3-methoxypropanamide?
2-amino-N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3-methoxypropanamide has a molecular weight of 330.18 g/mol, XLogP of 0.07, 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-amino-1-(3-bromophenyl)-2-oxoethyl]-3-methoxypropanamide is sourced from PubChem (CID 120987982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).