4-amino-3-(2-amino-2-oxoethoxy)-N-(3-ethoxypropyl)benzamide

C14H21N3O4 — CID 82069692

IUPAC4-amino-3-(2-amino-2-oxoethoxy)-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1ccc(N)c(OCC(N)=O)c1
InChIInChI=1S/C14H21N3O4/c1-2-20-7-3-6-17-14(19)10-4-5-11(15)12(8-10)21-9-13(16)18/h4-5,8H,2-3,6-7,9,15H2,1H3,(H2,16,18)(H,17,19)
InChIKeyCGDVMZJTTZBGCW-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.29
Rot. Bonds9

About 4-amino-3-(2-amino-2-oxoethoxy)-N-(3-ethoxypropyl)benzamide

4-amino-3-(2-amino-2-oxoethoxy)-N-(3-ethoxypropyl)benzamide (PubChem CID 82069692) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-amino-3-(2-amino-2-oxoethoxy)-N-(3-ethoxypropyl)benzamide.

Molecular Properties

Compound Name4-amino-3-(2-amino-2-oxoethoxy)-N-(3-ethoxypropyl)benzamide
PubChem CID82069692
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name4-amino-3-(2-amino-2-oxoethoxy)-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1ccc(N)c(OCC(N)=O)c1
InChIInChI=1S/C14H21N3O4/c1-2-20-7-3-6-17-14(19)10-4-5-11(15)12(8-10)21-9-13(16)18/h4-5,8H,2-3,6-7,9,15H2,1H3,(H2,16,18)(H,17,19)
InChIKeyCGDVMZJTTZBGCW-UHFFFAOYSA-N
XLogP0.29
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-butyl-3-[2-(methylamino)-2-oxoethoxy]benzamide
CID 82070083
4-amino-3-propoxy-N-propylbenzamide
CID 82069804
methyl 4-amino-3-(3-ethoxypropoxy)benzoate
CID 65180377
N-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95903042
3-amino-N-(3-butoxypropyl)-4-propoxybenzamide
CID 110496597
4-amino-3-(2-methylpropoxy)-N-(3-propan-2-yloxypropyl)benzamide
CID 93216664
N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide
CID 99610658
4-amino-N-[3-(dimethylamino)propyl]-3-(2-methylprop-2-enoxy)benzamide
CID 82070061
4-bromo-N-(3-ethoxypropyl)-3-hydroxybenzamide
CID 103830425
4-amino-N-(3-butoxypropyl)-3-nitrobenzamide
CID 27682777
4-amino-N-ethyl-3-pentoxybenzamide
CID 63358644
4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide
CID 35513931

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-amino-2-oxoethoxy)-N-(3-ethoxypropyl)benzamide?
The IUPAC name of 4-amino-3-(2-amino-2-oxoethoxy)-N-(3-ethoxypropyl)benzamide (CID 82069692) is 4-amino-3-(2-amino-2-oxoethoxy)-N-(3-ethoxypropyl)benzamide.
What is the SMILES notation for 4-amino-3-(2-amino-2-oxoethoxy)-N-(3-ethoxypropyl)benzamide?
The canonical SMILES for 4-amino-3-(2-amino-2-oxoethoxy)-N-(3-ethoxypropyl)benzamide is CCOCCCNC(=O)c1ccc(N)c(OCC(N)=O)c1.
What is the InChIKey of 4-amino-3-(2-amino-2-oxoethoxy)-N-(3-ethoxypropyl)benzamide?
The InChIKey is CGDVMZJTTZBGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-2-20-7-3-6-17-14(19)10-4-5-11(15)12(8-10)21-9-13(16)18/h4-5,8H,2-3,6-7,9,15H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 4-amino-3-(2-amino-2-oxoethoxy)-N-(3-ethoxypropyl)benzamide?
4-amino-3-(2-amino-2-oxoethoxy)-N-(3-ethoxypropyl)benzamide has a molecular weight of 295.34 g/mol, XLogP of 0.29, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-amino-2-oxoethoxy)-N-(3-ethoxypropyl)benzamide is sourced from PubChem (CID 82069692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).