2-amino-N-[1-(4-bromophenyl)propyl]-3-methoxypropanamide

C13H19BrN2O2 — CID 81083078

IUPAC2-amino-N-[1-(4-bromophenyl)propyl]-3-methoxypropanamide
SMILESCCC(NC(=O)C(N)COC)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O2/c1-3-12(9-4-6-10(14)7-5-9)16-13(17)11(15)8-18-2/h4-7,11-12H,3,8,15H2,1-2H3,(H,16,17)
InChIKeyVDDQGZWFLWUIBD-UHFFFAOYSA-N
MW315.21 g/mol
LogP1.99
Rot. Bonds6

About 2-amino-N-[1-(4-bromophenyl)propyl]-3-methoxypropanamide

2-amino-N-[1-(4-bromophenyl)propyl]-3-methoxypropanamide (PubChem CID 81083078) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-amino-N-[1-(4-bromophenyl)propyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-bromophenyl)propyl]-3-methoxypropanamide
PubChem CID81083078
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name2-amino-N-[1-(4-bromophenyl)propyl]-3-methoxypropanamide
SMILESCCC(NC(=O)C(N)COC)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O2/c1-3-12(9-4-6-10(14)7-5-9)16-13(17)11(15)8-18-2/h4-7,11-12H,3,8,15H2,1-2H3,(H,16,17)
InChIKeyVDDQGZWFLWUIBD-UHFFFAOYSA-N
XLogP1.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide
CID 81359920
2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide
CID 81082683
ethyl N-[(1S)-1-(4-bromophenyl)propyl]carbamate
CID 95358471
2-amino-N-[1-(4-methoxyphenyl)propyl]pentanamide;hydrochloride
CID 119271194
N-[1-(4-bromophenyl)propyl]-2-(2-methoxyethylamino)acetamide
CID 78914131
2-(aminomethyl)-N-[1-(4-bromophenyl)propyl]-3-methylbutanamide
CID 65224708
2-amino-N-[1-(4-bromophenyl)propyl]acetamide
CID 43233777
2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]-3-methoxypropanamide;hydrochloride
CID 120989904
methyl 3-[(2-amino-3-methoxypropanoyl)amino]-3-(3-bromophenyl)propanoate
CID 120987190
methyl 2-[1-(4-bromophenyl)propylamino]butanoate
CID 115352622
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide
CID 81359924
benzyl N-[(2S)-1-[[(1S)-1-(4-bromophenyl)propyl]amino]-1-oxopropan-2-yl]carbamate
CID 39958923

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-bromophenyl)propyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[1-(4-bromophenyl)propyl]-3-methoxypropanamide (CID 81083078) is 2-amino-N-[1-(4-bromophenyl)propyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[1-(4-bromophenyl)propyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[1-(4-bromophenyl)propyl]-3-methoxypropanamide is CCC(NC(=O)C(N)COC)c1ccc(Br)cc1.
What is the InChIKey of 2-amino-N-[1-(4-bromophenyl)propyl]-3-methoxypropanamide?
The InChIKey is VDDQGZWFLWUIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-3-12(9-4-6-10(14)7-5-9)16-13(17)11(15)8-18-2/h4-7,11-12H,3,8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-[1-(4-bromophenyl)propyl]-3-methoxypropanamide?
2-amino-N-[1-(4-bromophenyl)propyl]-3-methoxypropanamide has a molecular weight of 315.21 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-bromophenyl)propyl]-3-methoxypropanamide is sourced from PubChem (CID 81083078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).