N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methylbenzamide

C17H26ClN3O4 — CID 119660135

IUPACN-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)CCC(N)C(C)C)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C17H26ClN3O4/c1-10(2)13(19)5-6-21(3)17(23)11-7-12(18)16(14(8-11)24-4)25-9-15(20)22/h7-8,10,13H,5-6,9,19H2,1-4H3,(H2,20,22)
InChIKeyVFGKOLIJLRRDDA-UHFFFAOYSA-N
MW371.87 g/mol
LogP1.66
Rot. Bonds9

About N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methylbenzamide

N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methylbenzamide (PubChem CID 119660135) has the molecular formula C17H26ClN3O4 and a molecular weight of 371.87 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methylbenzamide
PubChem CID119660135
Molecular FormulaC17H26ClN3O4
Molecular Weight371.87 g/mol
Exact Mass371.16
IUPAC NameN-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)CCC(N)C(C)C)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C17H26ClN3O4/c1-10(2)13(19)5-6-21(3)17(23)11-7-12(18)16(14(8-11)24-4)25-9-15(20)22/h7-8,10,13H,5-6,9,19H2,1-4H3,(H2,20,22)
InChIKeyVFGKOLIJLRRDDA-UHFFFAOYSA-N
XLogP1.66
TPSA107.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-(1-aminopropan-2-yl)-3-chloro-5-methoxy-N-methylbenzamide
CID 119584039
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 18168727
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-phenyl-N-propan-2-ylbenzamide
CID 55920599
N-(3-hydroxybutyl)-3,4,5-trimethoxy-N-methylbenzamide
CID 115673500
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3-fluorophenyl)methyl]-5-methoxy-N-methylbenzamide
CID 18136436
3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)benzamide
CID 134058516
N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide
CID 107705211
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 125134434
3-chloro-4,5-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 71856556
N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride
CID 119658927
4-(2-amino-2-oxoethoxy)-3-chloro-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-5-methoxy-N-methylbenzamide
CID 55953731
N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119629178

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methylbenzamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methylbenzamide (CID 119660135) is N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methylbenzamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methylbenzamide is COc1cc(C(=O)N(C)CCC(N)C(C)C)cc(Cl)c1OCC(N)=O.
What is the InChIKey of N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methylbenzamide?
The InChIKey is VFGKOLIJLRRDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O4/c1-10(2)13(19)5-6-21(3)17(23)11-7-12(18)16(14(8-11)24-4)25-9-15(20)22/h7-8,10,13H,5-6,9,19H2,1-4H3,(H2,20,22).
What are the key properties of N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methylbenzamide?
N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methylbenzamide has a molecular weight of 371.87 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methylbenzamide is sourced from PubChem (CID 119660135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).