N-[4-[[2-[3,3-dimethylbutan-2-yl(methyl)amino]acetyl]amino]-2,5-diethoxyphenyl]benzamide

C26H37N3O4 — CID 43061699

IUPACN-[4-[[2-[3,3-dimethylbutan-2-yl(methyl)amino]acetyl]amino]-2,5-diethoxyphenyl]benzamide
SMILESCCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CN(C)C(C)C(C)(C)C
InChIInChI=1S/C26H37N3O4/c1-8-32-22-16-21(28-25(31)19-13-11-10-12-14-19)23(33-9-2)15-20(22)27-24(30)17-29(7)18(3)26(4,5)6/h10-16,18H,8-9,17H2,1-7H3,(H,27,30)(H,28,31)
InChIKeyZVHKVWNNHKVUSZ-UHFFFAOYSA-N
MW455.60 g/mol
LogP5.04
Rot. Bonds10

About N-[4-[[2-[3,3-dimethylbutan-2-yl(methyl)amino]acetyl]amino]-2,5-diethoxyphenyl]benzamide

N-[4-[[2-[3,3-dimethylbutan-2-yl(methyl)amino]acetyl]amino]-2,5-diethoxyphenyl]benzamide (PubChem CID 43061699) has the molecular formula C26H37N3O4 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[4-[[2-[3,3-dimethylbutan-2-yl(methyl)amino]acetyl]amino]-2,5-diethoxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[2-[3,3-dimethylbutan-2-yl(methyl)amino]acetyl]amino]-2,5-diethoxyphenyl]benzamide
PubChem CID43061699
Molecular FormulaC26H37N3O4
Molecular Weight455.60 g/mol
Exact Mass455.28
IUPAC NameN-[4-[[2-[3,3-dimethylbutan-2-yl(methyl)amino]acetyl]amino]-2,5-diethoxyphenyl]benzamide
SMILESCCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CN(C)C(C)C(C)(C)C
InChIInChI=1S/C26H37N3O4/c1-8-32-22-16-21(28-25(31)19-13-11-10-12-14-19)23(33-9-2)15-20(22)27-24(30)17-29(7)18(3)26(4,5)6/h10-16,18H,8-9,17H2,1-7H3,(H,27,30)(H,28,31)
InChIKeyZVHKVWNNHKVUSZ-UHFFFAOYSA-N
XLogP5.04
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-[2,5-diethoxy-4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 1051988
N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265923
N-[4-[3-[butyl(methyl)amino]propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 108795354
N-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 19221311
N-[4-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-2,5-diethoxyphenyl]benzamide
CID 19203094
N-[4-[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-2,5-diethoxyphenyl]benzamide
CID 19203095
N-(4-benzamido-2,5-diethoxyphenyl)-2-methylbenzamide
CID 1051986
N-[2,5-diethoxy-4-[3-(4-ethylphenoxy)propanoylamino]phenyl]benzamide
CID 108795827
N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 2128081
N-[4-(butanoylamino)-2,5-diethoxyphenyl]-4-tert-butylbenzamide
CID 1428135
N-[2,5-diethoxy-4-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]benzamide
CID 19237102

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[3,3-dimethylbutan-2-yl(methyl)amino]acetyl]amino]-2,5-diethoxyphenyl]benzamide?
The IUPAC name of N-[4-[[2-[3,3-dimethylbutan-2-yl(methyl)amino]acetyl]amino]-2,5-diethoxyphenyl]benzamide (CID 43061699) is N-[4-[[2-[3,3-dimethylbutan-2-yl(methyl)amino]acetyl]amino]-2,5-diethoxyphenyl]benzamide.
What is the SMILES notation for N-[4-[[2-[3,3-dimethylbutan-2-yl(methyl)amino]acetyl]amino]-2,5-diethoxyphenyl]benzamide?
The canonical SMILES for N-[4-[[2-[3,3-dimethylbutan-2-yl(methyl)amino]acetyl]amino]-2,5-diethoxyphenyl]benzamide is CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CN(C)C(C)C(C)(C)C.
What is the InChIKey of N-[4-[[2-[3,3-dimethylbutan-2-yl(methyl)amino]acetyl]amino]-2,5-diethoxyphenyl]benzamide?
The InChIKey is ZVHKVWNNHKVUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O4/c1-8-32-22-16-21(28-25(31)19-13-11-10-12-14-19)23(33-9-2)15-20(22)27-24(30)17-29(7)18(3)26(4,5)6/h10-16,18H,8-9,17H2,1-7H3,(H,27,30)(H,28,31).
What are the key properties of N-[4-[[2-[3,3-dimethylbutan-2-yl(methyl)amino]acetyl]amino]-2,5-diethoxyphenyl]benzamide?
N-[4-[[2-[3,3-dimethylbutan-2-yl(methyl)amino]acetyl]amino]-2,5-diethoxyphenyl]benzamide has a molecular weight of 455.60 g/mol, XLogP of 5.04, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[3,3-dimethylbutan-2-yl(methyl)amino]acetyl]amino]-2,5-diethoxyphenyl]benzamide is sourced from PubChem (CID 43061699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).