2-[1-(3-bromophenyl)ethylamino]-N-(3-methoxypropyl)propanamide

C15H23BrN2O2 — CID 60744778

IUPAC2-[1-(3-bromophenyl)ethylamino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)NC(C)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O2/c1-11(13-6-4-7-14(16)10-13)18-12(2)15(19)17-8-5-9-20-3/h4,6-7,10-12,18H,5,8-9H2,1-3H3,(H,17,19)
InChIKeyMAOSUJXUOCPUKN-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.64
Rot. Bonds8

About 2-[1-(3-bromophenyl)ethylamino]-N-(3-methoxypropyl)propanamide

2-[1-(3-bromophenyl)ethylamino]-N-(3-methoxypropyl)propanamide (PubChem CID 60744778) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-[1-(3-bromophenyl)ethylamino]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[1-(3-bromophenyl)ethylamino]-N-(3-methoxypropyl)propanamide
PubChem CID60744778
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-[1-(3-bromophenyl)ethylamino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)NC(C)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O2/c1-11(13-6-4-7-14(16)10-13)18-12(2)15(19)17-8-5-9-20-3/h4,6-7,10-12,18H,5,8-9H2,1-3H3,(H,17,19)
InChIKeyMAOSUJXUOCPUKN-UHFFFAOYSA-N
XLogP2.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methoxyethyl)propanamide
CID 81359885
N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxypropan-1-amine
CID 28673434
N-(3-methoxypropyl)-2-(1-pyridin-4-ylethylamino)propanamide
CID 43524055
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
CID 81382467
N-[(1R)-1-(3-bromophenyl)ethyl]-4-methoxybutan-1-amine
CID 104647522
2-[1-(3-bromophenyl)ethylamino]-N-butan-2-ylpropanamide
CID 60744879
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide
CID 81382107
2-[[(1S)-1-(3-bromophenyl)ethyl]amino]propanoic acid
CID 81381272
3-[1-(3-bromophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 115667940
2-(2,4-dibromoanilino)-N-(3-methoxypropyl)propanamide
CID 61473681
1-(3-bromophenyl)-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 103178663
(1R)-1-(3-bromophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethanamine
CID 81382702

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromophenyl)ethylamino]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[1-(3-bromophenyl)ethylamino]-N-(3-methoxypropyl)propanamide (CID 60744778) is 2-[1-(3-bromophenyl)ethylamino]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[1-(3-bromophenyl)ethylamino]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[1-(3-bromophenyl)ethylamino]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)NC(C)c1cccc(Br)c1.
What is the InChIKey of 2-[1-(3-bromophenyl)ethylamino]-N-(3-methoxypropyl)propanamide?
The InChIKey is MAOSUJXUOCPUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-11(13-6-4-7-14(16)10-13)18-12(2)15(19)17-8-5-9-20-3/h4,6-7,10-12,18H,5,8-9H2,1-3H3,(H,17,19).
What are the key properties of 2-[1-(3-bromophenyl)ethylamino]-N-(3-methoxypropyl)propanamide?
2-[1-(3-bromophenyl)ethylamino]-N-(3-methoxypropyl)propanamide has a molecular weight of 343.27 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromophenyl)ethylamino]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 60744778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).