4-[[2-(2,4-dimethylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide

C21H27N3O3 — CID 54811419

IUPAC4-[[2-(2,4-dimethylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(NC(=O)CNc2ccc(C)cc2C)cc1
InChIInChI=1S/C21H27N3O3/c1-15-5-10-19(16(2)13-15)23-14-20(25)24-18-8-6-17(7-9-18)21(26)22-11-4-12-27-3/h5-10,13,23H,4,11-12,14H2,1-3H3,(H,22,26)(H,24,25)
InChIKeyYOOZSTKFDSCHKV-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.12
Rot. Bonds9

About 4-[[2-(2,4-dimethylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide

4-[[2-(2,4-dimethylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide (PubChem CID 54811419) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[[2-(2,4-dimethylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name4-[[2-(2,4-dimethylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
PubChem CID54811419
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name4-[[2-(2,4-dimethylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(NC(=O)CNc2ccc(C)cc2C)cc1
InChIInChI=1S/C21H27N3O3/c1-15-5-10-19(16(2)13-15)23-14-20(25)24-18-8-6-17(7-9-18)21(26)22-11-4-12-27-3/h5-10,13,23H,4,11-12,14H2,1-3H3,(H,22,26)(H,24,25)
InChIKeyYOOZSTKFDSCHKV-UHFFFAOYSA-N
XLogP3.12
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-4-[[2-(2,4,5-trichloroanilino)acetyl]amino]benzamide
CID 54816310
4-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54817195
N-(3-methoxypropyl)-4-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54836394
4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836454
N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide
CID 54828874
N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54836484
2-(2,5-dimethylanilino)-N-(3-methoxypropyl)acetamide
CID 39353588
N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide
CID 17205407
3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842310
N-(3-methoxypropyl)-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide
CID 54836423
4-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54830495
4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836483

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4-dimethylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 4-[[2-(2,4-dimethylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide (CID 54811419) is 4-[[2-(2,4-dimethylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 4-[[2-(2,4-dimethylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 4-[[2-(2,4-dimethylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1ccc(NC(=O)CNc2ccc(C)cc2C)cc1.
What is the InChIKey of 4-[[2-(2,4-dimethylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide?
The InChIKey is YOOZSTKFDSCHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15-5-10-19(16(2)13-15)23-14-20(25)24-18-8-6-17(7-9-18)21(26)22-11-4-12-27-3/h5-10,13,23H,4,11-12,14H2,1-3H3,(H,22,26)(H,24,25).
What are the key properties of 4-[[2-(2,4-dimethylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide?
4-[[2-(2,4-dimethylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide has a molecular weight of 369.47 g/mol, XLogP of 3.12, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,4-dimethylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 54811419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).