4-chloro-N-[3-methyl-1-oxo-1-[1-(oxolan-2-yl)ethylamino]butan-2-yl]benzamide

C18H25ClN2O3 — CID 55609498

IUPAC4-chloro-N-[3-methyl-1-oxo-1-[1-(oxolan-2-yl)ethylamino]butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NC(C)C1CCCO1
InChIInChI=1S/C18H25ClN2O3/c1-11(2)16(18(23)20-12(3)15-5-4-10-24-15)21-17(22)13-6-8-14(19)9-7-13/h6-9,11-12,15-16H,4-5,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyORMWSRYTUGSOCM-UHFFFAOYSA-N
MW352.86 g/mol
LogP2.78
Rot. Bonds6

About 4-chloro-N-[3-methyl-1-oxo-1-[1-(oxolan-2-yl)ethylamino]butan-2-yl]benzamide

4-chloro-N-[3-methyl-1-oxo-1-[1-(oxolan-2-yl)ethylamino]butan-2-yl]benzamide (PubChem CID 55609498) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is 4-chloro-N-[3-methyl-1-oxo-1-[1-(oxolan-2-yl)ethylamino]butan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-methyl-1-oxo-1-[1-(oxolan-2-yl)ethylamino]butan-2-yl]benzamide
PubChem CID55609498
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC Name4-chloro-N-[3-methyl-1-oxo-1-[1-(oxolan-2-yl)ethylamino]butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NC(C)C1CCCO1
InChIInChI=1S/C18H25ClN2O3/c1-11(2)16(18(23)20-12(3)15-5-4-10-24-15)21-17(22)13-6-8-14(19)9-7-13/h6-9,11-12,15-16H,4-5,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyORMWSRYTUGSOCM-UHFFFAOYSA-N
XLogP2.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(2S)-3-methyl-1-oxo-1-[[(1R)-1-[(2S)-oxolan-2-yl]ethyl]amino]butan-2-yl]-4-nitrobenzamide
CID 30902267
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560
4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 42563052
4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533877
N-(4-chlorophenyl)-N'-[1-(oxolan-2-yl)ethyl]oxamide
CID 47229364
(2S)-2-(2,4-dichlorophenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 27233264
1-[(4-chlorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea
CID 134006670
3-chloro-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 103735000
4-chloro-N-[(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]benzamide
CID 7321021
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide
CID 35273707
(2S)-2-(2,4-dichlorophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]butanamide
CID 124753412

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-methyl-1-oxo-1-[1-(oxolan-2-yl)ethylamino]butan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[3-methyl-1-oxo-1-[1-(oxolan-2-yl)ethylamino]butan-2-yl]benzamide (CID 55609498) is 4-chloro-N-[3-methyl-1-oxo-1-[1-(oxolan-2-yl)ethylamino]butan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-methyl-1-oxo-1-[1-(oxolan-2-yl)ethylamino]butan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[3-methyl-1-oxo-1-[1-(oxolan-2-yl)ethylamino]butan-2-yl]benzamide is CC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NC(C)C1CCCO1.
What is the InChIKey of 4-chloro-N-[3-methyl-1-oxo-1-[1-(oxolan-2-yl)ethylamino]butan-2-yl]benzamide?
The InChIKey is ORMWSRYTUGSOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c1-11(2)16(18(23)20-12(3)15-5-4-10-24-15)21-17(22)13-6-8-14(19)9-7-13/h6-9,11-12,15-16H,4-5,10H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 4-chloro-N-[3-methyl-1-oxo-1-[1-(oxolan-2-yl)ethylamino]butan-2-yl]benzamide?
4-chloro-N-[3-methyl-1-oxo-1-[1-(oxolan-2-yl)ethylamino]butan-2-yl]benzamide has a molecular weight of 352.86 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-methyl-1-oxo-1-[1-(oxolan-2-yl)ethylamino]butan-2-yl]benzamide is sourced from PubChem (CID 55609498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).