3,5-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide

C13H20N4O2 — CID 61107585

IUPAC3,5-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
SMILESCCNC(=O)CN(CC)C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C13H20N4O2/c1-3-16-12(18)8-17(4-2)13(19)9-5-10(14)7-11(15)6-9/h5-7H,3-4,8,14-15H2,1-2H3,(H,16,18)
InChIKeyBVXDOPDQSASXMU-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.45
Rot. Bonds5

About 3,5-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide

3,5-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide (PubChem CID 61107585) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3,5-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,5-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
PubChem CID61107585
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3,5-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
SMILESCCNC(=O)CN(CC)C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C13H20N4O2/c1-3-16-12(18)8-17(4-2)13(19)9-5-10(14)7-11(15)6-9/h5-7H,3-4,8,14-15H2,1-2H3,(H,16,18)
InChIKeyBVXDOPDQSASXMU-UHFFFAOYSA-N
XLogP0.45
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.45
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

3-amino-4-ethoxy-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 61107770
3-bromo-5-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 113286144
2,4-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 61107401
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxybenzamide
CID 54986420
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 34797434
4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61106654
3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 61115445
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-(methoxymethyl)benzamide
CID 47110132
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60936689
3-(4-aminophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 61107025
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79696423
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-3-nitrobenzamide
CID 60659844

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3,5-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide (CID 61107585) is 3,5-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3,5-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3,5-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide is CCNC(=O)CN(CC)C(=O)c1cc(N)cc(N)c1.
What is the InChIKey of 3,5-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide?
The InChIKey is BVXDOPDQSASXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-16-12(18)8-17(4-2)13(19)9-5-10(14)7-11(15)6-9/h5-7H,3-4,8,14-15H2,1-2H3,(H,16,18).
What are the key properties of 3,5-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide?
3,5-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide has a molecular weight of 264.33 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 61107585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).