N-[1-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide

C23H29N3O4 — CID 55587940

IUPACN-[1-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)C(C)C)cc1
InChIInChI=1S/C23H29N3O4/c1-15(2)21(25-22(28)17-8-6-16(3)7-9-17)23(29)24-18-10-12-19(13-11-18)30-14-20(27)26(4)5/h6-13,15,21H,14H2,1-5H3,(H,24,29)(H,25,28)
InChIKeyYDHIWJQWCGSQGV-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.86
Rot. Bonds8

About N-[1-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide

N-[1-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide (PubChem CID 55587940) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[1-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
PubChem CID55587940
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[1-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)C(C)C)cc1
InChIInChI=1S/C23H29N3O4/c1-15(2)21(25-22(28)17-8-6-16(3)7-9-17)23(29)24-18-10-12-19(13-11-18)30-14-20(27)26(4)5/h6-13,15,21H,14H2,1-5H3,(H,24,29)(H,25,28)
InChIKeyYDHIWJQWCGSQGV-UHFFFAOYSA-N
XLogP2.86
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 55334963
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide
CID 32943144
4-chloro-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 74292353
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-propan-2-ylbenzamide
CID 32943301
4-[[2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 55342319
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methoxybenzamide
CID 32943268
N-[1-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55341774
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-methylpentanamide
CID 134005594
N-[1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 6915217
N-[(2S)-1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 2709764
ethyl 4-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzoate
CID 4805935
N-[1-[(6-amino-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide;hydrochloride
CID 119515441

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide?
The IUPAC name of N-[1-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide (CID 55587940) is N-[1-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[1-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[1-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC(C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)C(C)C)cc1.
What is the InChIKey of N-[1-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide?
The InChIKey is YDHIWJQWCGSQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-15(2)21(25-22(28)17-8-6-16(3)7-9-17)23(29)24-18-10-12-19(13-11-18)30-14-20(27)26(4)5/h6-13,15,21H,14H2,1-5H3,(H,24,29)(H,25,28).
What are the key properties of N-[1-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide?
N-[1-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide has a molecular weight of 411.50 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide is sourced from PubChem (CID 55587940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).