4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]butanamide

C13H19N3O3 — CID 60864309

IUPAC4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]butanamide
SMILESCOc1ccccc1NC(=O)CNCCCC(N)=O
InChIInChI=1S/C13H19N3O3/c1-19-11-6-3-2-5-10(11)16-13(18)9-15-8-4-7-12(14)17/h2-3,5-6,15H,4,7-9H2,1H3,(H2,14,17)(H,16,18)
InChIKeyCSEKGOJTTMALKQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.49
Rot. Bonds8

About 4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]butanamide

4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]butanamide (PubChem CID 60864309) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]butanamide.

Molecular Properties

Compound Name4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]butanamide
PubChem CID60864309
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]butanamide
SMILESCOc1ccccc1NC(=O)CNCCCC(N)=O
InChIInChI=1S/C13H19N3O3/c1-19-11-6-3-2-5-10(11)16-13(18)9-15-8-4-7-12(14)17/h2-3,5-6,15H,4,7-9H2,1H3,(H2,14,17)(H,16,18)
InChIKeyCSEKGOJTTMALKQ-UHFFFAOYSA-N
XLogP0.49
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 106211964
N-(2-methoxyphenyl)-2-(3-propoxypropylamino)acetamide
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2-[2-(2-hydroxyethoxy)ethylamino]-N-(2-methoxyphenyl)acetamide
CID 55024321
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 1251511
N-(2-methoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 9322485
N-(2-methoxyphenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide
CID 106429534
N-(2-methoxyphenyl)-2-(2-piperidin-1-ylethylamino)acetamide
CID 44753817
N-(2-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595958
4-[(2-methoxyphenyl)methylamino]butanamide
CID 60863188
N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
2-[(4-hydroxyphenyl)methylamino]-N-(2-methoxyphenyl)acetamide
CID 114331761

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]butanamide?
The IUPAC name of 4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]butanamide (CID 60864309) is 4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]butanamide.
What is the SMILES notation for 4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]butanamide?
The canonical SMILES for 4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]butanamide is COc1ccccc1NC(=O)CNCCCC(N)=O.
What is the InChIKey of 4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]butanamide?
The InChIKey is CSEKGOJTTMALKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-19-11-6-3-2-5-10(11)16-13(18)9-15-8-4-7-12(14)17/h2-3,5-6,15H,4,7-9H2,1H3,(H2,14,17)(H,16,18).
What are the key properties of 4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]butanamide?
4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]butanamide has a molecular weight of 265.31 g/mol, XLogP of 0.49, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]butanamide is sourced from PubChem (CID 60864309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).