N-[2-[1-(3-bromophenyl)propylamino]ethyl]-2-methylpropanamide

C15H23BrN2O — CID 43767682

IUPACN-[2-[1-(3-bromophenyl)propylamino]ethyl]-2-methylpropanamide
SMILESCCC(NCCNC(=O)C(C)C)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O/c1-4-14(12-6-5-7-13(16)10-12)17-8-9-18-15(19)11(2)3/h5-7,10-11,14,17H,4,8-9H2,1-3H3,(H,18,19)
InChIKeyXWQZOLKWDVDKOE-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.26
Rot. Bonds7

About N-[2-[1-(3-bromophenyl)propylamino]ethyl]-2-methylpropanamide

N-[2-[1-(3-bromophenyl)propylamino]ethyl]-2-methylpropanamide (PubChem CID 43767682) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is N-[2-[1-(3-bromophenyl)propylamino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[1-(3-bromophenyl)propylamino]ethyl]-2-methylpropanamide
PubChem CID43767682
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC NameN-[2-[1-(3-bromophenyl)propylamino]ethyl]-2-methylpropanamide
SMILESCCC(NCCNC(=O)C(C)C)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O/c1-4-14(12-6-5-7-13(16)10-12)17-8-9-18-15(19)11(2)3/h5-7,10-11,14,17H,4,8-9H2,1-3H3,(H,18,19)
InChIKeyXWQZOLKWDVDKOE-UHFFFAOYSA-N
XLogP3.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-bromophenyl)propyl]butan-1-amine
CID 43759360
(2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol
CID 93288110
2-[1-(3-bromophenyl)propylamino]-N-(2-methoxyethyl)acetamide
CID 112700031
1-(3-bromophenyl)-N-(2-ethylsulfinylethyl)propan-1-amine
CID 115718977
N-[1-(3-bromophenyl)propyl]-2-ethylaniline
CID 43764541
1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine
CID 43761869
2-[1-(3-bromophenyl)propylamino]-3-methylbutanamide
CID 106344282
1-[1-(3-bromophenyl)propylamino]-2-methylpropan-2-ol
CID 65103778
N-[1-(3-bromophenyl)propyl]-4-propan-2-ylaniline
CID 43760579
N-[1-(3-bromophenyl)propyl]butan-2-amine
CID 43756359
[2-[1-(3-bromophenyl)propylamino]phenyl]methanol
CID 43790534
3-[2-[1-(3-bromophenyl)propylamino]ethylsulfanyl]propan-1-ol
CID 113261268

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-bromophenyl)propylamino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[1-(3-bromophenyl)propylamino]ethyl]-2-methylpropanamide (CID 43767682) is N-[2-[1-(3-bromophenyl)propylamino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[1-(3-bromophenyl)propylamino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[1-(3-bromophenyl)propylamino]ethyl]-2-methylpropanamide is CCC(NCCNC(=O)C(C)C)c1cccc(Br)c1.
What is the InChIKey of N-[2-[1-(3-bromophenyl)propylamino]ethyl]-2-methylpropanamide?
The InChIKey is XWQZOLKWDVDKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-4-14(12-6-5-7-13(16)10-12)17-8-9-18-15(19)11(2)3/h5-7,10-11,14,17H,4,8-9H2,1-3H3,(H,18,19).
What are the key properties of N-[2-[1-(3-bromophenyl)propylamino]ethyl]-2-methylpropanamide?
N-[2-[1-(3-bromophenyl)propylamino]ethyl]-2-methylpropanamide has a molecular weight of 327.27 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-bromophenyl)propylamino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 43767682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).