5-amino-N-[1-(3-bromophenyl)ethyl]-2-methylpentanamide

C14H21BrN2O — CID 104683795

IUPAC5-amino-N-[1-(3-bromophenyl)ethyl]-2-methylpentanamide
SMILESCC(CCCN)C(=O)NC(C)c1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O/c1-10(5-4-8-16)14(18)17-11(2)12-6-3-7-13(15)9-12/h3,6-7,9-11H,4-5,8,16H2,1-2H3,(H,17,18)
InChIKeyKJISANVTZUECBM-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.00
Rot. Bonds6

About 5-amino-N-[1-(3-bromophenyl)ethyl]-2-methylpentanamide

5-amino-N-[1-(3-bromophenyl)ethyl]-2-methylpentanamide (PubChem CID 104683795) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 5-amino-N-[1-(3-bromophenyl)ethyl]-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-[1-(3-bromophenyl)ethyl]-2-methylpentanamide
PubChem CID104683795
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name5-amino-N-[1-(3-bromophenyl)ethyl]-2-methylpentanamide
SMILESCC(CCCN)C(=O)NC(C)c1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O/c1-10(5-4-8-16)14(18)17-11(2)12-6-3-7-13(15)9-12/h3,6-7,9-11H,4-5,8,16H2,1-2H3,(H,17,18)
InChIKeyKJISANVTZUECBM-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pentanamide
CID 113441068
5-amino-N-[(1R)-1-(3-bromophenyl)ethyl]pentanamide
CID 81376172
N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide
CID 55029103
2-amino-N-[1-(3-bromophenyl)ethyl]propanamide;hydrochloride
CID 119285491
(2S)-2-amino-N-[1-(3-bromophenyl)ethyl]butanamide
CID 79025388
2-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]-4-methylpentanamide
CID 81376331
(2S)-2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 104898206
(2S)-N-[(1R)-1-(3-bromophenyl)ethyl]-2-(ethylcarbamoylamino)hexanamide
CID 97098253
(2S)-2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylpentanamide
CID 81376335
1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 115453559
(2S)-2-acetamido-N-[(1R)-1-(3-bromophenyl)ethyl]propanamide
CID 94823421
3-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-2,2-dimethylpropanamide
CID 115426897

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(3-bromophenyl)ethyl]-2-methylpentanamide?
The IUPAC name of 5-amino-N-[1-(3-bromophenyl)ethyl]-2-methylpentanamide (CID 104683795) is 5-amino-N-[1-(3-bromophenyl)ethyl]-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-[1-(3-bromophenyl)ethyl]-2-methylpentanamide?
The canonical SMILES for 5-amino-N-[1-(3-bromophenyl)ethyl]-2-methylpentanamide is CC(CCCN)C(=O)NC(C)c1cccc(Br)c1.
What is the InChIKey of 5-amino-N-[1-(3-bromophenyl)ethyl]-2-methylpentanamide?
The InChIKey is KJISANVTZUECBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-10(5-4-8-16)14(18)17-11(2)12-6-3-7-13(15)9-12/h3,6-7,9-11H,4-5,8,16H2,1-2H3,(H,17,18).
What are the key properties of 5-amino-N-[1-(3-bromophenyl)ethyl]-2-methylpentanamide?
5-amino-N-[1-(3-bromophenyl)ethyl]-2-methylpentanamide has a molecular weight of 313.24 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(3-bromophenyl)ethyl]-2-methylpentanamide is sourced from PubChem (CID 104683795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).