4-chloro-N-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide

C18H26ClN3O3 — CID 55368558

IUPAC4-chloro-N-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCNC(=O)CN(CC)C(=O)C(NC(=O)c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C18H26ClN3O3/c1-5-20-15(23)11-22(6-2)18(25)16(12(3)4)21-17(24)13-7-9-14(19)10-8-13/h7-10,12,16H,5-6,11H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyRUKDCDLSGQKODI-UHFFFAOYSA-N
MW367.88 g/mol
LogP2.08
Rot. Bonds8

About 4-chloro-N-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide

4-chloro-N-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 55368558) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is 4-chloro-N-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID55368558
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name4-chloro-N-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCNC(=O)CN(CC)C(=O)C(NC(=O)c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C18H26ClN3O3/c1-5-20-15(23)11-22(6-2)18(25)16(12(3)4)21-17(24)13-7-9-14(19)10-8-13/h7-10,12,16H,5-6,11H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyRUKDCDLSGQKODI-UHFFFAOYSA-N
XLogP2.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
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4-chloro-N-[1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 74645871
4-chloro-N-[1-(3-hydroxybutylamino)-3-methyl-1-oxobutan-2-yl]benzamide
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N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide
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N-[1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 55368558) is 4-chloro-N-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide is CCNC(=O)CN(CC)C(=O)C(NC(=O)c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 4-chloro-N-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is RUKDCDLSGQKODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O3/c1-5-20-15(23)11-22(6-2)18(25)16(12(3)4)21-17(24)13-7-9-14(19)10-8-13/h7-10,12,16H,5-6,11H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of 4-chloro-N-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?
4-chloro-N-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 367.88 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 55368558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).