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

C13H19BrN2O2 — CID 119804606

IUPAC3-amino-N-[2-(3-bromophenoxy)propyl]butanamide
SMILESCC(N)CC(=O)NCC(C)Oc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-9(15)6-13(17)16-8-10(2)18-12-5-3-4-11(14)7-12/h3-5,7,9-10H,6,8,15H2,1-2H3,(H,16,17)
InChIKeyMBUDBAOWGGOKHK-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.07
Rot. Bonds6

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

3-amino-N-[2-(3-bromophenoxy)propyl]butanamide (PubChem CID 119804606) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 3-amino-N-[2-(3-bromophenoxy)propyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-bromophenoxy)propyl]butanamide
PubChem CID119804606
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name3-amino-N-[2-(3-bromophenoxy)propyl]butanamide
SMILESCC(N)CC(=O)NCC(C)Oc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-9(15)6-13(17)16-8-10(2)18-12-5-3-4-11(14)7-12/h3-5,7,9-10H,6,8,15H2,1-2H3,(H,16,17)
InChIKeyMBUDBAOWGGOKHK-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(3-bromophenoxy)propyl]-4-methylsulfonylbutanamide
CID 119957614
2-amino-N-[2-(3-bromophenoxy)propyl]pentanamide;hydrochloride
CID 119335567
3-amino-N-[2-(2-bromophenoxy)propyl]butanamide;hydrochloride
CID 119804713
2-acetamido-N-[2-(3-bromophenoxy)propyl]propanamide
CID 71993930
N-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 119804610
N-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119804609
N-[(2R)-2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide
CID 96568538
N-[2-(3-bromophenoxy)propyl]oxane-4-carboxamide
CID 71993929
2-(2-aminoethyl)-N-[2-(3-bromophenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 120636229
4-amino-N-[2-(3-fluorophenoxy)propyl]-3-methoxybutanamide
CID 120593422
N-[2-(3-bromophenoxy)propyl]-3-methylbutan-1-amine
CID 62570902
N-(3-amino-2-methylpropyl)-2-(3-bromophenoxy)acetamide;hydrochloride
CID 119997634

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-bromophenoxy)propyl]butanamide?
The IUPAC name of 3-amino-N-[2-(3-bromophenoxy)propyl]butanamide (CID 119804606) is 3-amino-N-[2-(3-bromophenoxy)propyl]butanamide.
What is the SMILES notation for 3-amino-N-[2-(3-bromophenoxy)propyl]butanamide?
The canonical SMILES for 3-amino-N-[2-(3-bromophenoxy)propyl]butanamide is CC(N)CC(=O)NCC(C)Oc1cccc(Br)c1.
What is the InChIKey of 3-amino-N-[2-(3-bromophenoxy)propyl]butanamide?
The InChIKey is MBUDBAOWGGOKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-9(15)6-13(17)16-8-10(2)18-12-5-3-4-11(14)7-12/h3-5,7,9-10H,6,8,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-[2-(3-bromophenoxy)propyl]butanamide?
3-amino-N-[2-(3-bromophenoxy)propyl]butanamide has a molecular weight of 315.21 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-bromophenoxy)propyl]butanamide is sourced from PubChem (CID 119804606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).