N,4-dibutyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

C26H35N3O4 — CID 3604916

IUPACN,4-dibutyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCCCCc1ccc(C(=O)N(CCCC)CC(=O)NCC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C26H35N3O4/c1-4-6-8-20-9-11-21(12-10-20)26(32)29(17-7-5-2)19-25(31)27-18-24(30)28-22-13-15-23(33-3)16-14-22/h9-16H,4-8,17-19H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyUNAWTNRRQBHWHY-UHFFFAOYSA-N
MW453.58 g/mol
LogP4.03
Rot. Bonds13

About N,4-dibutyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

N,4-dibutyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (PubChem CID 3604916) has the molecular formula C26H35N3O4 and a molecular weight of 453.58 g/mol. Its IUPAC name is N,4-dibutyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN,4-dibutyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
PubChem CID3604916
Molecular FormulaC26H35N3O4
Molecular Weight453.58 g/mol
Exact Mass453.26
IUPAC NameN,4-dibutyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCCCCc1ccc(C(=O)N(CCCC)CC(=O)NCC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C26H35N3O4/c1-4-6-8-20-9-11-21(12-10-20)26(32)29(17-7-5-2)19-25(31)27-18-24(30)28-22-13-15-23(33-3)16-14-22/h9-16H,4-8,17-19H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyUNAWTNRRQBHWHY-UHFFFAOYSA-N
XLogP4.03
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,4-dibutyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide with MolForge

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Related Compounds

4-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 4051876
N-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide
CID 4167862
N-[2-(4-methoxyanilino)-2-oxoethyl]-4-pentylbenzamide
CID 4016608
N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3904974
4-butoxy-N-(2-methoxyethyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3405435
N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3597840
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide
CID 5087215
N-butyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 4641506
4-bromo-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4044086
N,N-dibutyl-4-methoxybenzamide
CID 2163395
N-butyl-2-methoxy-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3430043
methyl 5-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-5-oxopentanoate
CID 3689635

Frequently Asked Questions

What is the IUPAC name of N,4-dibutyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N,4-dibutyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (CID 3604916) is N,4-dibutyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N,4-dibutyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N,4-dibutyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is CCCCc1ccc(C(=O)N(CCCC)CC(=O)NCC(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of N,4-dibutyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is UNAWTNRRQBHWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4/c1-4-6-8-20-9-11-21(12-10-20)26(32)29(17-7-5-2)19-25(31)27-18-24(30)28-22-13-15-23(33-3)16-14-22/h9-16H,4-8,17-19H2,1-3H3,(H,27,31)(H,28,30).
What are the key properties of N,4-dibutyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
N,4-dibutyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 453.58 g/mol, XLogP of 4.03, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dibutyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 3604916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).