N-cyclopropyl-3-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzamide

C23H28N4O4 — CID 18287366

IUPACN-cyclopropyl-3-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzamide
SMILESCCN(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C23H28N4O4/c1-3-27(15-22(29)26-19-9-4-5-10-20(19)31-2)14-21(28)24-18-8-6-7-16(13-18)23(30)25-17-11-12-17/h4-10,13,17H,3,11-12,14-15H2,1-2H3,(H,24,28)(H,25,30)(H,26,29)
InChIKeyZCDLTICDSKLHBI-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.49
Rot. Bonds10

About N-cyclopropyl-3-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzamide

N-cyclopropyl-3-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzamide (PubChem CID 18287366) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzamide
PubChem CID18287366
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-cyclopropyl-3-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzamide
SMILESCCN(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C23H28N4O4/c1-3-27(15-22(29)26-19-9-4-5-10-20(19)31-2)14-21(28)24-18-8-6-7-16(13-18)23(30)25-17-11-12-17/h4-10,13,17H,3,11-12,14-15H2,1-2H3,(H,24,28)(H,25,30)(H,26,29)
InChIKeyZCDLTICDSKLHBI-UHFFFAOYSA-N
XLogP2.49
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 18078727
N-cyclopropyl-2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 34434295
3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 38171779
N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 9029924
N-cyclopropyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzamide
CID 55897484
N-(3-chloro-4-fluorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 9029512
N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 27098874
N-(3-carbamoylphenyl)-N'-(2-methoxyphenyl)propanediamide
CID 50875903
ethyl 3-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-(cyclopropylmethyl)amino]propanoate
CID 49149265
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029907
N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 11928144
propan-2-yl 4-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzoate
CID 9029476

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzamide (CID 18287366) is N-cyclopropyl-3-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzamide is CCN(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)CC(=O)Nc1ccccc1OC.
What is the InChIKey of N-cyclopropyl-3-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzamide?
The InChIKey is ZCDLTICDSKLHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-3-27(15-22(29)26-19-9-4-5-10-20(19)31-2)14-21(28)24-18-8-6-7-16(13-18)23(30)25-17-11-12-17/h4-10,13,17H,3,11-12,14-15H2,1-2H3,(H,24,28)(H,25,30)(H,26,29).
What are the key properties of N-cyclopropyl-3-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzamide?
N-cyclopropyl-3-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzamide has a molecular weight of 424.50 g/mol, XLogP of 2.49, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 18287366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).