2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxypropanamide

C14H21BrN2O2 — CID 120988537

IUPAC2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCC(C)(C)c1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O2/c1-14(2,10-5-4-6-11(15)7-10)9-17-13(18)12(16)8-19-3/h4-7,12H,8-9,16H2,1-3H3,(H,17,18)
InChIKeyIZGLTRKBQHGQNS-UHFFFAOYSA-N
MW329.24 g/mol
LogP1.82
Rot. Bonds6

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

2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxypropanamide (PubChem CID 120988537) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxypropanamide
PubChem CID120988537
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCC(C)(C)c1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O2/c1-14(2,10-5-4-6-11(15)7-10)9-17-13(18)12(16)8-19-3/h4-7,12H,8-9,16H2,1-3H3,(H,17,18)
InChIKeyIZGLTRKBQHGQNS-UHFFFAOYSA-N
XLogP1.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-hydroxypropanamide
CID 115180213
2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-methoxypropanamide
CID 120990280
(2S)-2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3,3-dimethylbutanamide
CID 119767554
2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-3-methoxypropanamide;hydrochloride
CID 120986999
3-[[2-(3-bromophenyl)-2-methylpropyl]amino]-2-methyl-3-oxopropanoic acid
CID 115164417
methyl 2-[[2-(3-bromophenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 115142674
2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride
CID 120987025
2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-methoxypropanamide
CID 120987990
1-amino-3-[2-(3-bromophenyl)-2-methylpropyl]urea
CID 115193202
4-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120591285
2-amino-3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)propanamide;hydrochloride
CID 120989918
2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-3-methoxypropanamide
CID 120991102

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxypropanamide (CID 120988537) is 2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxypropanamide is COCC(N)C(=O)NCC(C)(C)c1cccc(Br)c1.
What is the InChIKey of 2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxypropanamide?
The InChIKey is IZGLTRKBQHGQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-14(2,10-5-4-6-11(15)7-10)9-17-13(18)12(16)8-19-3/h4-7,12H,8-9,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxypropanamide?
2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxypropanamide has a molecular weight of 329.24 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxypropanamide is sourced from PubChem (CID 120988537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).