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

C21H26N4O4 — CID 54836394

IUPACN-(3-methoxypropyl)-4-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)CNc2ccc(C(=O)NCCCOC)cc2)cc1
InChIInChI=1S/C21H26N4O4/c1-22-20(27)15-6-10-18(11-7-15)25-19(26)14-24-17-8-4-16(5-9-17)21(28)23-12-3-13-29-2/h4-11,24H,3,12-14H2,1-2H3,(H,22,27)(H,23,28)(H,25,26)
InChIKeyNYWGEWYQFNITPA-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.86
Rot. Bonds10

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

N-(3-methoxypropyl)-4-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54836394) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54836394
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN-(3-methoxypropyl)-4-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)CNc2ccc(C(=O)NCCCOC)cc2)cc1
InChIInChI=1S/C21H26N4O4/c1-22-20(27)15-6-10-18(11-7-15)25-19(26)14-24-17-8-4-16(5-9-17)21(28)23-12-3-13-29-2/h4-11,24H,3,12-14H2,1-2H3,(H,22,27)(H,23,28)(H,25,26)
InChIKeyNYWGEWYQFNITPA-UHFFFAOYSA-N
XLogP1.86
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.86
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

4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836454
N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54836484
N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide
CID 54828874
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836640
N-(3-methoxypropyl)-4-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54834129
4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835385
N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846451
N-(3-methoxypropyl)-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide
CID 54836423
4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835601
N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54836675
4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836483
N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide
CID 17205407

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-(3-methoxypropyl)-4-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (CID 54836394) is N-(3-methoxypropyl)-4-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-4-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is CNC(=O)c1ccc(NC(=O)CNc2ccc(C(=O)NCCCOC)cc2)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is NYWGEWYQFNITPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-22-20(27)15-6-10-18(11-7-15)25-19(26)14-24-17-8-4-16(5-9-17)21(28)23-12-3-13-29-2/h4-11,24H,3,12-14H2,1-2H3,(H,22,27)(H,23,28)(H,25,26).
What are the key properties of N-(3-methoxypropyl)-4-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
N-(3-methoxypropyl)-4-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 398.46 g/mol, XLogP of 1.86, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54836394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).