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

C13H19N3O3 — CID 102695091

IUPAC4-amino-N-[2-(2-methoxypropylamino)-2-oxoethyl]benzamide
SMILESCOC(C)CNC(=O)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C13H19N3O3/c1-9(19-2)7-15-12(17)8-16-13(18)10-3-5-11(14)6-4-10/h3-6,9H,7-8,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyFHWVFWRUWWCRAP-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.15
Rot. Bonds6

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

4-amino-N-[2-(2-methoxypropylamino)-2-oxoethyl]benzamide (PubChem CID 102695091) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-amino-N-[2-(2-methoxypropylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-methoxypropylamino)-2-oxoethyl]benzamide
PubChem CID102695091
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-amino-N-[2-(2-methoxypropylamino)-2-oxoethyl]benzamide
SMILESCOC(C)CNC(=O)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C13H19N3O3/c1-9(19-2)7-15-12(17)8-16-13(18)10-3-5-11(14)6-4-10/h3-6,9H,7-8,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyFHWVFWRUWWCRAP-UHFFFAOYSA-N
XLogP0.15
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119689751
3-(4-aminophenyl)-N-(2-methoxypropyl)propanamide
CID 102694281
4-amino-N-[2-(4-hydroxybutan-2-ylamino)-2-oxoethyl]benzamide
CID 83177077
ethyl 2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]acetate
CID 60895921
4-amino-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide
CID 106134450
4-amino-N-[2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-oxoethyl]benzamide
CID 106188719
4-amino-N-(2-aminopropyl)benzamide
CID 130891998
4-amino-N-(2-methoxypropyl)-2-methylbenzamide
CID 102694270
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24710255
4-amino-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]benzamide
CID 65314150
4-amino-N-[2-[2-(carbamoylamino)ethylamino]-2-oxoethyl]benzamide
CID 83111327
4-amino-N-[2-(2-methylsulfanylethylamino)-2-oxoethyl]benzamide
CID 60666348

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-methoxypropylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-amino-N-[2-(2-methoxypropylamino)-2-oxoethyl]benzamide (CID 102695091) is 4-amino-N-[2-(2-methoxypropylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-(2-methoxypropylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-amino-N-[2-(2-methoxypropylamino)-2-oxoethyl]benzamide is COC(C)CNC(=O)CNC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[2-(2-methoxypropylamino)-2-oxoethyl]benzamide?
The InChIKey is FHWVFWRUWWCRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(19-2)7-15-12(17)8-16-13(18)10-3-5-11(14)6-4-10/h3-6,9H,7-8,14H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 4-amino-N-[2-(2-methoxypropylamino)-2-oxoethyl]benzamide?
4-amino-N-[2-(2-methoxypropylamino)-2-oxoethyl]benzamide has a molecular weight of 265.31 g/mol, XLogP of 0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-methoxypropylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 102695091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).