N-butan-2-yl-4-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzamide

C17H27N3O3 — CID 54834375

IUPACN-butan-2-yl-4-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccc(NCC(=O)NCCCOC)cc1
InChIInChI=1S/C17H27N3O3/c1-4-13(2)20-17(22)14-6-8-15(9-7-14)19-12-16(21)18-10-5-11-23-3/h6-9,13,19H,4-5,10-12H2,1-3H3,(H,18,21)(H,20,22)
InChIKeyZPQFEQIXKFFKTR-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.78
Rot. Bonds10

About N-butan-2-yl-4-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzamide

N-butan-2-yl-4-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzamide (PubChem CID 54834375) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-butan-2-yl-4-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzamide
PubChem CID54834375
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-butan-2-yl-4-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccc(NCC(=O)NCCCOC)cc1
InChIInChI=1S/C17H27N3O3/c1-4-13(2)20-17(22)14-6-8-15(9-7-14)19-12-16(21)18-10-5-11-23-3/h6-9,13,19H,4-5,10-12H2,1-3H3,(H,18,21)(H,20,22)
InChIKeyZPQFEQIXKFFKTR-UHFFFAOYSA-N
XLogP1.78
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.78
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

N-butan-2-yl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835277
N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54836484
N-butan-2-yl-4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide
CID 54834615
4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840779
4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54835797
N-butan-2-yl-4-(5-methoxypentanoylamino)benzamide
CID 126801750
4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835601
4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836454
N-butan-2-yl-4-(propylamino)benzamide
CID 62171300
4-(ethylamino)-N-(3-methoxypropyl)benzamide
CID 62167523
N,N-diethyl-4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzamide
CID 54833942
N-(3-methoxypropyl)-2-(4-methylsulfonylanilino)acetamide
CID 60652870

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-4-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzamide (CID 54834375) is N-butan-2-yl-4-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-4-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-4-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzamide is CCC(C)NC(=O)c1ccc(NCC(=O)NCCCOC)cc1.
What is the InChIKey of N-butan-2-yl-4-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzamide?
The InChIKey is ZPQFEQIXKFFKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-4-13(2)20-17(22)14-6-8-15(9-7-14)19-12-16(21)18-10-5-11-23-3/h6-9,13,19H,4-5,10-12H2,1-3H3,(H,18,21)(H,20,22).
What are the key properties of N-butan-2-yl-4-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzamide?
N-butan-2-yl-4-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzamide has a molecular weight of 321.42 g/mol, XLogP of 1.78, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54834375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).