N-(5-chloro-2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide

C15H21ClN2O2 — CID 43626479

IUPACN-(5-chloro-2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNC(C)C1CCCO1
InChIInChI=1S/C15H21ClN2O2/c1-10-5-6-12(16)8-13(10)18-15(19)9-17-11(2)14-4-3-7-20-14/h5-6,8,11,14,17H,3-4,7,9H2,1-2H3,(H,18,19)
InChIKeyHBOVBADSNOUTIY-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.74
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide

N-(5-chloro-2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide (PubChem CID 43626479) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide
PubChem CID43626479
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNC(C)C1CCCO1
InChIInChI=1S/C15H21ClN2O2/c1-10-5-6-12(16)8-13(10)18-15(19)9-17-11(2)14-4-3-7-20-14/h5-6,8,11,14,17H,3-4,7,9H2,1-2H3,(H,18,19)
InChIKeyHBOVBADSNOUTIY-UHFFFAOYSA-N
XLogP2.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide
CID 43534114
N-(5-chloro-2-methylphenyl)-2-(1-cyclohexylethylamino)acetamide
CID 62406464
N-(2-chloro-4-fluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide
CID 86789635
2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]amino]-N-phenylacetamide
CID 93103707
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697159
2-(5-chloro-2-methoxyanilino)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 95160627
N-(5-chloro-2-methylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 94025746
1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 51427378
N-(5-chloro-2-methylphenyl)-2-(cyclopropylamino)acetamide
CID 43405290
N-(5-chloro-2-methylphenyl)-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 104696419
[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
CID 8729837
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide (CID 43626479) is N-(5-chloro-2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide is Cc1ccc(Cl)cc1NC(=O)CNC(C)C1CCCO1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide?
The InChIKey is HBOVBADSNOUTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10-5-6-12(16)8-13(10)18-15(19)9-17-11(2)14-4-3-7-20-14/h5-6,8,11,14,17H,3-4,7,9H2,1-2H3,(H,18,19).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide has a molecular weight of 296.80 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide is sourced from PubChem (CID 43626479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).