4-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxybutanamide

C15H23BrN2O2 — CID 120591285

IUPAC4-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC(C)(C)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O2/c1-15(2,11-5-4-6-12(16)7-11)10-18-14(19)8-13(9-17)20-3/h4-7,13H,8-10,17H2,1-3H3,(H,18,19)
InChIKeyIXFBQKZKQRWFSO-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.21
Rot. Bonds7

About 4-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxybutanamide

4-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxybutanamide (PubChem CID 120591285) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 4-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxybutanamide
PubChem CID120591285
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name4-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC(C)(C)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O2/c1-15(2,11-5-4-6-12(16)7-11)10-18-14(19)8-13(9-17)20-3/h4-7,13H,8-10,17H2,1-3H3,(H,18,19)
InChIKeyIXFBQKZKQRWFSO-UHFFFAOYSA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120591741
(2S)-2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3,3-dimethylbutanamide
CID 119767554
4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120591825
methyl 2-[[2-(3-bromophenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 115142674
4-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxybutanamide
CID 120590045
2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxypropanamide
CID 120988537
N-[2-(3-bromophenyl)-2-methylpropyl]-3-chloropropanamide
CID 115162745
1-amino-3-[2-(3-bromophenyl)-2-methylpropyl]urea
CID 115193202
N-[2-(3-bromophenyl)-2-methylpropyl]-2-cyanoacetamide
CID 115173449
2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-hydroxypropanamide
CID 115180213
3-[[2-(3-bromophenyl)-2-methylpropyl]amino]-2-methyl-3-oxopropanoic acid
CID 115164417
3-amino-N-[2-(3-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride
CID 120873398

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxybutanamide (CID 120591285) is 4-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxybutanamide is COC(CN)CC(=O)NCC(C)(C)c1cccc(Br)c1.
What is the InChIKey of 4-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxybutanamide?
The InChIKey is IXFBQKZKQRWFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-15(2,11-5-4-6-12(16)7-11)10-18-14(19)8-13(9-17)20-3/h4-7,13H,8-10,17H2,1-3H3,(H,18,19).
What are the key properties of 4-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxybutanamide?
4-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxybutanamide has a molecular weight of 343.27 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxybutanamide is sourced from PubChem (CID 120591285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).