4-chloro-N-[3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-oxopropyl]benzamide

C17H24ClN3O3 — CID 2541236

IUPAC4-chloro-N-[3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-oxopropyl]benzamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClN3O3/c1-4-21(11-15(22)20-12(2)3)16(23)9-10-19-17(24)13-5-7-14(18)8-6-13/h5-8,12H,4,9-11H2,1-3H3,(H,19,24)(H,20,22)
InChIKeyOZXGUXYTHKRCDZ-UHFFFAOYSA-N
MW353.85 g/mol
LogP1.83
Rot. Bonds8

About 4-chloro-N-[3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-oxopropyl]benzamide

4-chloro-N-[3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-oxopropyl]benzamide (PubChem CID 2541236) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is 4-chloro-N-[3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-oxopropyl]benzamide
PubChem CID2541236
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name4-chloro-N-[3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-oxopropyl]benzamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClN3O3/c1-4-21(11-15(22)20-12(2)3)16(23)9-10-19-17(24)13-5-7-14(18)8-6-13/h5-8,12H,4,9-11H2,1-3H3,(H,19,24)(H,20,22)
InChIKeyOZXGUXYTHKRCDZ-UHFFFAOYSA-N
XLogP1.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-oxopropyl]benzamide (CID 2541236) is 4-chloro-N-[3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-oxopropyl]benzamide is CCN(CC(=O)NC(C)C)C(=O)CCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-oxopropyl]benzamide?
The InChIKey is OZXGUXYTHKRCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c1-4-21(11-15(22)20-12(2)3)16(23)9-10-19-17(24)13-5-7-14(18)8-6-13/h5-8,12H,4,9-11H2,1-3H3,(H,19,24)(H,20,22).
What are the key properties of 4-chloro-N-[3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-oxopropyl]benzamide?
4-chloro-N-[3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-oxopropyl]benzamide has a molecular weight of 353.85 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 2541236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).