N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3-bromobenzamide

C15H22BrN3O2 — CID 119665856

IUPACN-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3-bromobenzamide
SMILESCCCCC(CN)NC(=O)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C15H22BrN3O2/c1-2-3-7-13(9-17)19-14(20)10-18-15(21)11-5-4-6-12(16)8-11/h4-6,8,13H,2-3,7,9-10,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyZFYOMPBBICTIDA-UHFFFAOYSA-N
MW356.26 g/mol
LogP1.81
Rot. Bonds8

About N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3-bromobenzamide

N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3-bromobenzamide (PubChem CID 119665856) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3-bromobenzamide.

Molecular Properties

Compound NameN-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3-bromobenzamide
PubChem CID119665856
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC NameN-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3-bromobenzamide
SMILESCCCCC(CN)NC(=O)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C15H22BrN3O2/c1-2-3-7-13(9-17)19-14(20)10-18-15(21)11-5-4-6-12(16)8-11/h4-6,8,13H,2-3,7,9-10,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyZFYOMPBBICTIDA-UHFFFAOYSA-N
XLogP1.81
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104981787
N-[2-(1-aminopentan-2-ylamino)-2-oxoethyl]benzamide
CID 65191645
N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride
CID 119667644
3-bromo-N-[2-(butan-2-ylamino)-2-oxoethyl]benzamide
CID 46521709
3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119668834
N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride
CID 119667380
3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119667555
N-[4-(1-aminohexan-2-ylamino)-4-oxobutyl]benzamide
CID 119668614
N-[2-(3-aminopropylamino)-2-oxoethyl]-3-bromobenzamide
CID 119405892
3-bromo-N-[2-(2-ethylbutylamino)-2-oxoethyl]benzamide
CID 115613542
3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 51162907
3-bromo-N-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 24544523

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3-bromobenzamide?
The IUPAC name of N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3-bromobenzamide (CID 119665856) is N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3-bromobenzamide.
What is the SMILES notation for N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3-bromobenzamide?
The canonical SMILES for N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3-bromobenzamide is CCCCC(CN)NC(=O)CNC(=O)c1cccc(Br)c1.
What is the InChIKey of N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3-bromobenzamide?
The InChIKey is ZFYOMPBBICTIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-2-3-7-13(9-17)19-14(20)10-18-15(21)11-5-4-6-12(16)8-11/h4-6,8,13H,2-3,7,9-10,17H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3-bromobenzamide?
N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3-bromobenzamide has a molecular weight of 356.26 g/mol, XLogP of 1.81, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3-bromobenzamide is sourced from PubChem (CID 119665856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).