N-cyclopropyl-2-[3-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanoylamino]benzamide

C26H34N4O5 — CID 24589094

IUPACN-cyclopropyl-2-[3-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanoylamino]benzamide
SMILESCCOc1ccc(NC(=O)CN(C)CCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1OCC
InChIInChI=1S/C26H34N4O5/c1-4-34-22-13-12-19(16-23(22)35-5-2)27-25(32)17-30(3)15-14-24(31)29-21-9-7-6-8-20(21)26(33)28-18-10-11-18/h6-9,12-13,16,18H,4-5,10-11,14-15,17H2,1-3H3,(H,27,32)(H,28,33)(H,29,31)
InChIKeySRSPYBHGVOZVJP-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.28
Rot. Bonds13

About N-cyclopropyl-2-[3-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanoylamino]benzamide

N-cyclopropyl-2-[3-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanoylamino]benzamide (PubChem CID 24589094) has the molecular formula C26H34N4O5 and a molecular weight of 482.58 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanoylamino]benzamide
PubChem CID24589094
Molecular FormulaC26H34N4O5
Molecular Weight482.58 g/mol
Exact Mass482.25
IUPAC NameN-cyclopropyl-2-[3-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanoylamino]benzamide
SMILESCCOc1ccc(NC(=O)CN(C)CCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1OCC
InChIInChI=1S/C26H34N4O5/c1-4-34-22-13-12-19(16-23(22)35-5-2)27-25(32)17-30(3)15-14-24(31)29-21-9-7-6-8-20(21)26(33)28-18-10-11-18/h6-9,12-13,16,18H,4-5,10-11,14-15,17H2,1-3H3,(H,27,32)(H,28,33)(H,29,31)
InChIKeySRSPYBHGVOZVJP-UHFFFAOYSA-N
XLogP3.28
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 9053688
N-cyclopropyl-2-[3-(4-ethoxyphenoxy)propanoylamino]benzamide
CID 26906057
3-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 24561001
2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279
N-cyclopropyl-2-[3-[2-(4-fluorophenoxy)ethyl-methylamino]propanoylamino]benzamide
CID 24589340
N-cyclopropyl-2-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 40715510
N-cyclopentyl-2-[[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]benzamide
CID 9050106
N-cyclopropyl-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]benzamide
CID 34279951
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide
CID 2112863
2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide
CID 27122687
N-cyclopropyl-2-(3-phenoxypropanoylamino)benzamide
CID 26906047
N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dipropoxybenzamide
CID 34282702

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanoylamino]benzamide?
The IUPAC name of N-cyclopropyl-2-[3-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanoylamino]benzamide (CID 24589094) is N-cyclopropyl-2-[3-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanoylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[3-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanoylamino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[3-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanoylamino]benzamide is CCOc1ccc(NC(=O)CN(C)CCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1OCC.
What is the InChIKey of N-cyclopropyl-2-[3-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanoylamino]benzamide?
The InChIKey is SRSPYBHGVOZVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5/c1-4-34-22-13-12-19(16-23(22)35-5-2)27-25(32)17-30(3)15-14-24(31)29-21-9-7-6-8-20(21)26(33)28-18-10-11-18/h6-9,12-13,16,18H,4-5,10-11,14-15,17H2,1-3H3,(H,27,32)(H,28,33)(H,29,31).
What are the key properties of N-cyclopropyl-2-[3-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanoylamino]benzamide?
N-cyclopropyl-2-[3-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanoylamino]benzamide has a molecular weight of 482.58 g/mol, XLogP of 3.28, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanoylamino]benzamide is sourced from PubChem (CID 24589094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).