N-butyl-2-methoxy-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

C23H29N3O4 — CID 3430043

IUPACN-butyl-2-methoxy-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCCCCN(CC(=O)NCC(=O)Nc1ccc(C)cc1)C(=O)c1ccccc1OC
InChIInChI=1S/C23H29N3O4/c1-4-5-14-26(23(29)19-8-6-7-9-20(19)30-3)16-22(28)24-15-21(27)25-18-12-10-17(2)11-13-18/h6-13H,4-5,14-16H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyOHNIVWOMEOQWCD-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.00
Rot. Bonds10

About N-butyl-2-methoxy-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

N-butyl-2-methoxy-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (PubChem CID 3430043) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-butyl-2-methoxy-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-butyl-2-methoxy-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
PubChem CID3430043
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-butyl-2-methoxy-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCCCCN(CC(=O)NCC(=O)Nc1ccc(C)cc1)C(=O)c1ccccc1OC
InChIInChI=1S/C23H29N3O4/c1-4-5-14-26(23(29)19-8-6-7-9-20(19)30-3)16-22(28)24-15-21(27)25-18-12-10-17(2)11-13-18/h6-13H,4-5,14-16H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyOHNIVWOMEOQWCD-UHFFFAOYSA-N
XLogP3.00
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 5183706
N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-1-carboxamide
CID 3637083
2-methoxy-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3383343
N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3597840
N-(3-methoxypropyl)-2-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 5223742
N-[(4-fluorophenyl)methyl]-2-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3498631
N,4-dibutyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3604916
(2R)-N-butyl-2-ethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide
CID 7330763
N-(2-methoxyethyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide
CID 3432157
N-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide
CID 4167862
4-butoxy-N-(2-methoxyethyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3405435
N-butyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 4641506

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methoxy-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-butyl-2-methoxy-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (CID 3430043) is N-butyl-2-methoxy-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-butyl-2-methoxy-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-butyl-2-methoxy-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is CCCCN(CC(=O)NCC(=O)Nc1ccc(C)cc1)C(=O)c1ccccc1OC.
What is the InChIKey of N-butyl-2-methoxy-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is OHNIVWOMEOQWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-4-5-14-26(23(29)19-8-6-7-9-20(19)30-3)16-22(28)24-15-21(27)25-18-12-10-17(2)11-13-18/h6-13H,4-5,14-16H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of N-butyl-2-methoxy-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
N-butyl-2-methoxy-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 411.50 g/mol, XLogP of 3.00, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methoxy-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 3430043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).