3-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide

C18H21BrN2O2 — CID 119952093

IUPAC3-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide
SMILESCC(CNC(=O)CC(N)c1ccccc1)Oc1ccccc1Br
InChIInChI=1S/C18H21BrN2O2/c1-13(23-17-10-6-5-9-15(17)19)12-21-18(22)11-16(20)14-7-3-2-4-8-14/h2-10,13,16H,11-12,20H2,1H3,(H,21,22)
InChIKeyGOPNLRADQBOLIS-UHFFFAOYSA-N
MW377.28 g/mol
LogP3.42
Rot. Bonds7

About 3-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide

3-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide (PubChem CID 119952093) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 3-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide
PubChem CID119952093
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name3-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide
SMILESCC(CNC(=O)CC(N)c1ccccc1)Oc1ccccc1Br
InChIInChI=1S/C18H21BrN2O2/c1-13(23-17-10-6-5-9-15(17)19)12-21-18(22)11-16(20)14-7-3-2-4-8-14/h2-10,13,16H,11-12,20H2,1H3,(H,21,22)
InChIKeyGOPNLRADQBOLIS-UHFFFAOYSA-N
XLogP3.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(2-bromophenoxy)propyl]butanamide;hydrochloride
CID 119804713
methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
CID 119951074
3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
(2S)-2-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide
CID 119335617
2-amino-N-[2-(2-bromophenoxy)propyl]-3-methylpentanamide;hydrochloride
CID 119804711
3-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 62693740
(3S)-3-(2-bromophenoxy)butanoic acid
CID 71742862
3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride
CID 119949370
4-amino-N-(2-methoxypropyl)-4-phenylbutanamide
CID 102695108
2-amino-N-[2-(2-methylphenoxy)propyl]-2-phenylacetamide
CID 119335783
4-(2-bromophenoxy)pentan-2-one
CID 64698957
3-amino-3-phenyl-N-(2-phenylbutyl)propanamide
CID 119949049

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide (CID 119952093) is 3-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide is CC(CNC(=O)CC(N)c1ccccc1)Oc1ccccc1Br.
What is the InChIKey of 3-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide?
The InChIKey is GOPNLRADQBOLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-13(23-17-10-6-5-9-15(17)19)12-21-18(22)11-16(20)14-7-3-2-4-8-14/h2-10,13,16H,11-12,20H2,1H3,(H,21,22).
What are the key properties of 3-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide?
3-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide has a molecular weight of 377.28 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide is sourced from PubChem (CID 119952093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).