2-amino-N-[(3-bromophenyl)methyl]-5-methoxypentanamide

C13H19BrN2O2 — CID 81089386

IUPAC2-amino-N-[(3-bromophenyl)methyl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NCc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-18-7-3-6-12(15)13(17)16-9-10-4-2-5-11(14)8-10/h2,4-5,8,12H,3,6-7,9,15H2,1H3,(H,16,17)
InChIKeyLIMRLYHFMKFDOV-UHFFFAOYSA-N
MW315.21 g/mol
LogP1.82
Rot. Bonds7

About 2-amino-N-[(3-bromophenyl)methyl]-5-methoxypentanamide

2-amino-N-[(3-bromophenyl)methyl]-5-methoxypentanamide (PubChem CID 81089386) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-amino-N-[(3-bromophenyl)methyl]-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-[(3-bromophenyl)methyl]-5-methoxypentanamide
PubChem CID81089386
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name2-amino-N-[(3-bromophenyl)methyl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NCc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-18-7-3-6-12(15)13(17)16-9-10-4-2-5-11(14)8-10/h2,4-5,8,12H,3,6-7,9,15H2,1H3,(H,16,17)
InChIKeyLIMRLYHFMKFDOV-UHFFFAOYSA-N
XLogP1.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 51.82
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

(2S)-2-amino-N-[(3-bromophenyl)methyl]hexanamide
CID 103831227
2-amino-N-benzyl-5-methoxypentanamide
CID 81081027
(2S)-2-amino-N-[(3-bromophenyl)methyl]butanamide;hydrochloride
CID 119279834
(2R)-2-amino-N-[(3-bromophenyl)methyl]-3-hydroxypropanamide;hydrochloride
CID 142480144
2-amino-N-[(2-hydroxyphenyl)methyl]-5-methoxypentanamide
CID 114332295
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxypentanamide
CID 81088409
2-(aminomethyl)-N-[(3-bromophenyl)methyl]pentanamide
CID 65229446
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide
CID 81082143
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120983730
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-5-methoxypentanamide
CID 103292338
methyl 3-[[(2-amino-3-methoxypropanoyl)amino]methyl]benzoate;hydrochloride
CID 120992458
(2S)-2-amino-N-[(3-propylphenyl)methyl]heptanamide
CID 118439878

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-bromophenyl)methyl]-5-methoxypentanamide?
The IUPAC name of 2-amino-N-[(3-bromophenyl)methyl]-5-methoxypentanamide (CID 81089386) is 2-amino-N-[(3-bromophenyl)methyl]-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-[(3-bromophenyl)methyl]-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-[(3-bromophenyl)methyl]-5-methoxypentanamide is COCCCC(N)C(=O)NCc1cccc(Br)c1.
What is the InChIKey of 2-amino-N-[(3-bromophenyl)methyl]-5-methoxypentanamide?
The InChIKey is LIMRLYHFMKFDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-18-7-3-6-12(15)13(17)16-9-10-4-2-5-11(14)8-10/h2,4-5,8,12H,3,6-7,9,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-[(3-bromophenyl)methyl]-5-methoxypentanamide?
2-amino-N-[(3-bromophenyl)methyl]-5-methoxypentanamide has a molecular weight of 315.21 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-bromophenyl)methyl]-5-methoxypentanamide is sourced from PubChem (CID 81089386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).