N-(1-amino-2,3-dimethylbutan-2-yl)-5-(4-bromophenoxy)pentanamide

C17H27BrN2O2 — CID 119605778

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-5-(4-bromophenoxy)pentanamide
SMILESCC(C)C(C)(CN)NC(=O)CCCCOc1ccc(Br)cc1
InChIInChI=1S/C17H27BrN2O2/c1-13(2)17(3,12-19)20-16(21)6-4-5-11-22-15-9-7-14(18)8-10-15/h7-10,13H,4-6,11-12,19H2,1-3H3,(H,20,21)
InChIKeyCRVPEIUTRVNXHJ-UHFFFAOYSA-N
MW371.32 g/mol
LogP3.49
Rot. Bonds9

About N-(1-amino-2,3-dimethylbutan-2-yl)-5-(4-bromophenoxy)pentanamide

N-(1-amino-2,3-dimethylbutan-2-yl)-5-(4-bromophenoxy)pentanamide (PubChem CID 119605778) has the molecular formula C17H27BrN2O2 and a molecular weight of 371.32 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-5-(4-bromophenoxy)pentanamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-(4-bromophenoxy)pentanamide
PubChem CID119605778
Molecular FormulaC17H27BrN2O2
Molecular Weight371.32 g/mol
Exact Mass370.13
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-(4-bromophenoxy)pentanamide
SMILESCC(C)C(C)(CN)NC(=O)CCCCOc1ccc(Br)cc1
InChIInChI=1S/C17H27BrN2O2/c1-13(2)17(3,12-19)20-16(21)6-4-5-11-22-15-9-7-14(18)8-10-15/h7-10,13H,4-6,11-12,19H2,1-3H3,(H,20,21)
InChIKeyCRVPEIUTRVNXHJ-UHFFFAOYSA-N
XLogP3.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 53.49
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

4-(4-acetylphenoxy)-N-(1-amino-2,3-dimethylbutan-2-yl)butanamide
CID 119605954
N-[3-(aminomethyl)pentan-3-yl]-5-(4-bromophenoxy)pentanamide;hydrochloride
CID 119568938
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-bromophenyl)sulfanylpropanamide;hydrochloride
CID 119609120
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119607652
2-[4-(4-bromophenoxy)butanoylamino]-2-methylbutanoic acid
CID 79789268
2-[5-(4-bromophenoxy)pentanoylamino]-3-methoxy-2-methylpropanoic acid
CID 120688623
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(4-methoxyphenyl)butanamide;hydrochloride
CID 119605619
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methoxybutanamide
CID 81487568
N-(1-amino-2,3-dimethylbutan-2-yl)decanamide
CID 115310393
N-(1-amino-2,3-dimethylbutan-2-yl)octanamide
CID 81486540
4-(4-bromophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]butanamide
CID 62520654
3-(4-bromophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
CID 64558336

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-(4-bromophenoxy)pentanamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-(4-bromophenoxy)pentanamide (CID 119605778) is N-(1-amino-2,3-dimethylbutan-2-yl)-5-(4-bromophenoxy)pentanamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-5-(4-bromophenoxy)pentanamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-5-(4-bromophenoxy)pentanamide is CC(C)C(C)(CN)NC(=O)CCCCOc1ccc(Br)cc1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-5-(4-bromophenoxy)pentanamide?
The InChIKey is CRVPEIUTRVNXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O2/c1-13(2)17(3,12-19)20-16(21)6-4-5-11-22-15-9-7-14(18)8-10-15/h7-10,13H,4-6,11-12,19H2,1-3H3,(H,20,21).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-5-(4-bromophenoxy)pentanamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-5-(4-bromophenoxy)pentanamide has a molecular weight of 371.32 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-5-(4-bromophenoxy)pentanamide is sourced from PubChem (CID 119605778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).