N-(2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]propanamide

C16H24N2O2 — CID 75504701

IUPACN-(2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]propanamide
SMILESCc1ccccc1NC(=O)C(C)NC(C)C1CCCO1
InChIInChI=1S/C16H24N2O2/c1-11-7-4-5-8-14(11)18-16(19)13(3)17-12(2)15-9-6-10-20-15/h4-5,7-8,12-13,15,17H,6,9-10H2,1-3H3,(H,18,19)
InChIKeyPAMKCGVJNHWEHP-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.48
Rot. Bonds5

About N-(2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]propanamide

N-(2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]propanamide (PubChem CID 75504701) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]propanamide
PubChem CID75504701
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]propanamide
SMILESCc1ccccc1NC(=O)C(C)NC(C)C1CCCO1
InChIInChI=1S/C16H24N2O2/c1-11-7-4-5-8-14(11)18-16(19)13(3)17-12(2)15-9-6-10-20-15/h4-5,7-8,12-13,15,17H,6,9-10H2,1-3H3,(H,18,19)
InChIKeyPAMKCGVJNHWEHP-UHFFFAOYSA-N
XLogP2.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[1-(oxolan-2-yl)ethylamino]propanamide
CID 43329481
2-(2-methylanilino)-2-(oxolan-2-yl)acetamide
CID 82836748
4-[(2-methylphenyl)sulfamoyl]-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 75871245
N-(2-chlorophenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide
CID 43534114
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 124729841
(2S)-N-(2-methylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 92513883
2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]amino]-N-phenylacetamide
CID 93103707
cyclohexyl-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]azanium
CID 7450690
N-(5-chloro-2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide
CID 43626479
2-chloro-6-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 63724489
2-anilino-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 42955770
2-amino-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119292175

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]propanamide?
The IUPAC name of N-(2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]propanamide (CID 75504701) is N-(2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]propanamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]propanamide?
The canonical SMILES for N-(2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]propanamide is Cc1ccccc1NC(=O)C(C)NC(C)C1CCCO1.
What is the InChIKey of N-(2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]propanamide?
The InChIKey is PAMKCGVJNHWEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-7-4-5-8-14(11)18-16(19)13(3)17-12(2)15-9-6-10-20-15/h4-5,7-8,12-13,15,17H,6,9-10H2,1-3H3,(H,18,19).
What are the key properties of N-(2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]propanamide?
N-(2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]propanamide is sourced from PubChem (CID 75504701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).