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

C13H19BrN2O2 — CID 115180213

IUPAC2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-hydroxypropanamide
SMILESCC(C)(CNC(=O)C(N)CO)c1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-13(2,8-16-12(18)11(15)7-17)9-4-3-5-10(14)6-9/h3-6,11,17H,7-8,15H2,1-2H3,(H,16,18)
InChIKeyVDNNJLAGUGKDCN-UHFFFAOYSA-N
MW315.21 g/mol
LogP1.16
Rot. Bonds5

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

2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-hydroxypropanamide (PubChem CID 115180213) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-hydroxypropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-hydroxypropanamide
PubChem CID115180213
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-hydroxypropanamide
SMILESCC(C)(CNC(=O)C(N)CO)c1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-13(2,8-16-12(18)11(15)7-17)9-4-3-5-10(14)6-9/h3-6,11,17H,7-8,15H2,1-2H3,(H,16,18)
InChIKeyVDNNJLAGUGKDCN-UHFFFAOYSA-N
XLogP1.16
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3,3-dimethylbutanamide
CID 119767554
2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxypropanamide
CID 120988537
3-[[2-(3-bromophenyl)-2-methylpropyl]amino]-2-methyl-3-oxopropanoic acid
CID 115164417
1-amino-3-[2-(3-bromophenyl)-2-methylpropyl]urea
CID 115193202
methyl 2-[[2-(3-bromophenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 115142674
N-[2-(3-bromophenyl)-2-methylpropyl]-3-chloropropanamide
CID 115162745
4-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120591285
(2R)-2-amino-N-[(3-bromophenyl)methyl]-3-hydroxypropanamide;hydrochloride
CID 142480144
N-[2-(3-bromophenyl)-2-methylpropyl]-2-cyanoacetamide
CID 115173449
2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-methoxypropanamide
CID 120990280
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylpentanamide;hydrochloride
CID 119796151
2-amino-N-[2-methyl-2-(3-methylphenyl)propyl]-2-phenylacetamide
CID 119308143

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-hydroxypropanamide?
The IUPAC name of 2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-hydroxypropanamide (CID 115180213) is 2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-hydroxypropanamide.
What is the SMILES notation for 2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-hydroxypropanamide?
The canonical SMILES for 2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-hydroxypropanamide is CC(C)(CNC(=O)C(N)CO)c1cccc(Br)c1.
What is the InChIKey of 2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-hydroxypropanamide?
The InChIKey is VDNNJLAGUGKDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-13(2,8-16-12(18)11(15)7-17)9-4-3-5-10(14)6-9/h3-6,11,17H,7-8,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-hydroxypropanamide?
2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-hydroxypropanamide has a molecular weight of 315.21 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 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-hydroxypropanamide is sourced from PubChem (CID 115180213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).