N-butyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide

C23H28ClN3O4 — CID 4641506

IUPACN-butyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
SMILESCCCCN(CC(=O)NCC(=O)Nc1ccc(OC)cc1)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C23H28ClN3O4/c1-3-4-14-27(23(30)22(24)17-8-6-5-7-9-17)16-21(29)25-15-20(28)26-18-10-12-19(31-2)13-11-18/h5-13,22H,3-4,14-16H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyTUYSPRGBKXLPSN-UHFFFAOYSA-N
MW445.95 g/mol
LogP3.36
Rot. Bonds11

About N-butyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide

N-butyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide (PubChem CID 4641506) has the molecular formula C23H28ClN3O4 and a molecular weight of 445.95 g/mol. Its IUPAC name is N-butyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-butyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
PubChem CID4641506
Molecular FormulaC23H28ClN3O4
Molecular Weight445.95 g/mol
Exact Mass445.18
IUPAC NameN-butyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
SMILESCCCCN(CC(=O)NCC(=O)Nc1ccc(OC)cc1)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C23H28ClN3O4/c1-3-4-14-27(23(30)22(24)17-8-6-5-7-9-17)16-21(29)25-15-20(28)26-18-10-12-19(31-2)13-11-18/h5-13,22H,3-4,14-16H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyTUYSPRGBKXLPSN-UHFFFAOYSA-N
XLogP3.36
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.95
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide
CID 4167862
N,4-dibutyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3604916
N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide
CID 4284142
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide
CID 5087215
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide
CID 4139055
N-butyl-2-methoxy-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3430043
N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3597840
4-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 4051876
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
CID 4190376
N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide
CID 4623937
methyl 5-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-5-oxopentanoate
CID 3689635
N-butyl-2-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 5183706

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-butyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide (CID 4641506) is N-butyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-butyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-butyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide is CCCCN(CC(=O)NCC(=O)Nc1ccc(OC)cc1)C(=O)C(Cl)c1ccccc1.
What is the InChIKey of N-butyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is TUYSPRGBKXLPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O4/c1-3-4-14-27(23(30)22(24)17-8-6-5-7-9-17)16-21(29)25-15-20(28)26-18-10-12-19(31-2)13-11-18/h5-13,22H,3-4,14-16H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of N-butyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide?
N-butyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 445.95 g/mol, XLogP of 3.36, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 4641506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).