N-(3-methoxypropyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide

C23H30N4O4 — CID 54842706

IUPACN-(3-methoxypropyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
SMILESCCC(=O)Nc1cc(NC(=O)CNc2cccc(C(=O)NCCCOC)c2)ccc1C
InChIInChI=1S/C23H30N4O4/c1-4-21(28)27-20-14-19(10-9-16(20)2)26-22(29)15-25-18-8-5-7-17(13-18)23(30)24-11-6-12-31-3/h5,7-10,13-14,25H,4,6,11-12,15H2,1-3H3,(H,24,30)(H,26,29)(H,27,28)
InChIKeyZTQZIMGYRBDCND-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.16
Rot. Bonds11

About N-(3-methoxypropyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide

N-(3-methoxypropyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54842706) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54842706
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC NameN-(3-methoxypropyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
SMILESCCC(=O)Nc1cc(NC(=O)CNc2cccc(C(=O)NCCCOC)c2)ccc1C
InChIInChI=1S/C23H30N4O4/c1-4-21(28)27-20-14-19(10-9-16(20)2)26-22(29)15-25-18-8-5-7-17(13-18)23(30)24-11-6-12-31-3/h5,7-10,13-14,25H,4,6,11-12,15H2,1-3H3,(H,24,30)(H,26,29)(H,27,28)
InChIKeyZTQZIMGYRBDCND-UHFFFAOYSA-N
XLogP3.16
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54838931
N-(3-methoxypropyl)-3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54842675
3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842310
N-[5-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844883
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54831834
N-tert-butyl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844318
3-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54819393
3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842410
3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54825060
N-butan-2-yl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835277
N,N-diethyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54832534
N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54844860

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-(3-methoxypropyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide (CID 54842706) is N-(3-methoxypropyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide is CCC(=O)Nc1cc(NC(=O)CNc2cccc(C(=O)NCCCOC)c2)ccc1C.
What is the InChIKey of N-(3-methoxypropyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is ZTQZIMGYRBDCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-4-21(28)27-20-14-19(10-9-16(20)2)26-22(29)15-25-18-8-5-7-17(13-18)23(30)24-11-6-12-31-3/h5,7-10,13-14,25H,4,6,11-12,15H2,1-3H3,(H,24,30)(H,26,29)(H,27,28).
What are the key properties of N-(3-methoxypropyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide?
N-(3-methoxypropyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 426.52 g/mol, XLogP of 3.16, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54842706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).