N-(1-aminohexan-2-yl)-4-(2-bromophenoxy)butanamide

C16H25BrN2O2 — CID 119667552

IUPACN-(1-aminohexan-2-yl)-4-(2-bromophenoxy)butanamide
SMILESCCCCC(CN)NC(=O)CCCOc1ccccc1Br
InChIInChI=1S/C16H25BrN2O2/c1-2-3-7-13(12-18)19-16(20)10-6-11-21-15-9-5-4-8-14(15)17/h4-5,8-9,13H,2-3,6-7,10-12,18H2,1H3,(H,19,20)
InChIKeyITYZTUYZKNDVPS-UHFFFAOYSA-N
MW357.29 g/mol
LogP3.24
Rot. Bonds10

About N-(1-aminohexan-2-yl)-4-(2-bromophenoxy)butanamide

N-(1-aminohexan-2-yl)-4-(2-bromophenoxy)butanamide (PubChem CID 119667552) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-4-(2-bromophenoxy)butanamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-4-(2-bromophenoxy)butanamide
PubChem CID119667552
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC NameN-(1-aminohexan-2-yl)-4-(2-bromophenoxy)butanamide
SMILESCCCCC(CN)NC(=O)CCCOc1ccccc1Br
InChIInChI=1S/C16H25BrN2O2/c1-2-3-7-13(12-18)19-16(20)10-6-11-21-15-9-5-4-8-14(15)17/h4-5,8-9,13H,2-3,6-7,10-12,18H2,1H3,(H,19,20)
InChIKeyITYZTUYZKNDVPS-UHFFFAOYSA-N
XLogP3.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 53.24
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

N-(1-aminohexan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride
CID 119668746
4-(2-bromophenoxy)-N-(6-hydroxy-5-methylhexan-3-yl)butanamide
CID 75391466
N-(1-aminohexan-2-yl)-3-(4-fluorophenoxy)propanamide
CID 119665882
N-(1-aminohexan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride
CID 119666096
N-(1-aminohexan-2-yl)-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propanamide
CID 119666184
N-(1-amino-4-methylpentan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride
CID 119588775
N-(1-aminohexan-2-yl)-2-naphthalen-1-yloxyacetamide;hydrochloride
CID 119666910
N-[4-(1-aminohexan-2-ylamino)-4-oxobutyl]benzamide
CID 119668614
N-(1-aminopropan-2-yl)-4-(2-bromophenoxy)-N-methylbutanamide
CID 119584005
N-(1-amino-4-methylpentan-2-yl)-4-(2-fluorophenoxy)butanamide
CID 119587842
N-[(2S)-1-aminopropan-2-yl]-4-(2-ethoxyphenoxy)butanamide
CID 120507806
ethyl 4-(2-bromophenoxy)butanoate
CID 15070114

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-4-(2-bromophenoxy)butanamide?
The IUPAC name of N-(1-aminohexan-2-yl)-4-(2-bromophenoxy)butanamide (CID 119667552) is N-(1-aminohexan-2-yl)-4-(2-bromophenoxy)butanamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-4-(2-bromophenoxy)butanamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-4-(2-bromophenoxy)butanamide is CCCCC(CN)NC(=O)CCCOc1ccccc1Br.
What is the InChIKey of N-(1-aminohexan-2-yl)-4-(2-bromophenoxy)butanamide?
The InChIKey is ITYZTUYZKNDVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c1-2-3-7-13(12-18)19-16(20)10-6-11-21-15-9-5-4-8-14(15)17/h4-5,8-9,13H,2-3,6-7,10-12,18H2,1H3,(H,19,20).
What are the key properties of N-(1-aminohexan-2-yl)-4-(2-bromophenoxy)butanamide?
N-(1-aminohexan-2-yl)-4-(2-bromophenoxy)butanamide has a molecular weight of 357.29 g/mol, XLogP of 3.24, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-4-(2-bromophenoxy)butanamide is sourced from PubChem (CID 119667552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).