7-amino-N-[2-(4-bromophenyl)ethyl]-N-methylheptanamide

C16H25BrN2O — CID 119771019

IUPAC7-amino-N-[2-(4-bromophenyl)ethyl]-N-methylheptanamide
SMILESCN(CCc1ccc(Br)cc1)C(=O)CCCCCCN
InChIInChI=1S/C16H25BrN2O/c1-19(16(20)6-4-2-3-5-12-18)13-11-14-7-9-15(17)10-8-14/h7-10H,2-6,11-13,18H2,1H3
InChIKeyPVNIKXFIGSLKHH-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.36
Rot. Bonds9

About 7-amino-N-[2-(4-bromophenyl)ethyl]-N-methylheptanamide

7-amino-N-[2-(4-bromophenyl)ethyl]-N-methylheptanamide (PubChem CID 119771019) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 7-amino-N-[2-(4-bromophenyl)ethyl]-N-methylheptanamide.

Molecular Properties

Compound Name7-amino-N-[2-(4-bromophenyl)ethyl]-N-methylheptanamide
PubChem CID119771019
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name7-amino-N-[2-(4-bromophenyl)ethyl]-N-methylheptanamide
SMILESCN(CCc1ccc(Br)cc1)C(=O)CCCCCCN
InChIInChI=1S/C16H25BrN2O/c1-19(16(20)6-4-2-3-5-12-18)13-11-14-7-9-15(17)10-8-14/h7-10H,2-6,11-13,18H2,1H3
InChIKeyPVNIKXFIGSLKHH-UHFFFAOYSA-N
XLogP3.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-bromophenyl)ethyl]-N-methyl-3-(methylamino)propanamide
CID 115153366
4-[3-[2-(4-bromophenyl)ethyl-methylamino]-3-oxopropyl]benzoic acid
CID 119184024
3-amino-N-[2-(4-bromophenyl)ethyl]-N,3-dimethylbutanamide
CID 115155083
3-[3-(4-bromophenyl)propanoyl-methylamino]propanoic acid
CID 99849607
4-[4-(6-aminohexyl)phenyl]-N,N-dimethylbutanamide
CID 54058207
N-[(4-bromophenyl)methyl]-N-methyloctanamide
CID 63531159
N-[(4-bromophenyl)methyl]-N-methyldecanamide
CID 65428442
3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119297962
4-(4-bromophenyl)-N,N-dimethylbutanamide
CID 158418152
4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-methylbutanamide
CID 115155486
6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid
CID 23043994
7-amino-N-[(4-ethoxyphenyl)methyl]-N-methylheptanamide
CID 60938150

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(4-bromophenyl)ethyl]-N-methylheptanamide?
The IUPAC name of 7-amino-N-[2-(4-bromophenyl)ethyl]-N-methylheptanamide (CID 119771019) is 7-amino-N-[2-(4-bromophenyl)ethyl]-N-methylheptanamide.
What is the SMILES notation for 7-amino-N-[2-(4-bromophenyl)ethyl]-N-methylheptanamide?
The canonical SMILES for 7-amino-N-[2-(4-bromophenyl)ethyl]-N-methylheptanamide is CN(CCc1ccc(Br)cc1)C(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-[2-(4-bromophenyl)ethyl]-N-methylheptanamide?
The InChIKey is PVNIKXFIGSLKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-19(16(20)6-4-2-3-5-12-18)13-11-14-7-9-15(17)10-8-14/h7-10H,2-6,11-13,18H2,1H3.
What are the key properties of 7-amino-N-[2-(4-bromophenyl)ethyl]-N-methylheptanamide?
7-amino-N-[2-(4-bromophenyl)ethyl]-N-methylheptanamide has a molecular weight of 341.29 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(4-bromophenyl)ethyl]-N-methylheptanamide is sourced from PubChem (CID 119771019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).