2-[(2,3-dimethyloxolan-3-yl)amino]-N-(4-methylphenyl)propanamide

C16H24N2O2 — CID 103581201

IUPAC2-[(2,3-dimethyloxolan-3-yl)amino]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)NC2(C)CCOC2C)cc1
InChIInChI=1S/C16H24N2O2/c1-11-5-7-14(8-6-11)17-15(19)12(2)18-16(4)9-10-20-13(16)3/h5-8,12-13,18H,9-10H2,1-4H3,(H,17,19)
InChIKeyMHPFQUJLANOSLC-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.48
Rot. Bonds4

About 2-[(2,3-dimethyloxolan-3-yl)amino]-N-(4-methylphenyl)propanamide

2-[(2,3-dimethyloxolan-3-yl)amino]-N-(4-methylphenyl)propanamide (PubChem CID 103581201) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[(2,3-dimethyloxolan-3-yl)amino]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[(2,3-dimethyloxolan-3-yl)amino]-N-(4-methylphenyl)propanamide
PubChem CID103581201
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[(2,3-dimethyloxolan-3-yl)amino]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)NC2(C)CCOC2C)cc1
InChIInChI=1S/C16H24N2O2/c1-11-5-7-14(8-6-11)17-15(19)12(2)18-16(4)9-10-20-13(16)3/h5-8,12-13,18H,9-10H2,1-4H3,(H,17,19)
InChIKeyMHPFQUJLANOSLC-UHFFFAOYSA-N
XLogP2.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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'-(3-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 551256
N'-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 2883455
Cambridge id 6169523
CID 2889044
N-(3,4-dimethylphenyl)-N'-(tetrahydrofuran-2-ylmethyl)ethanediamide
CID 3136544
1-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 3219695
3-(2,6-Dimethyl-morpholin-4-yl)-N-p-tolyl-propionamide
CID 23724245
(2S,3S)-3-hydroxy-N-(4-octylphenyl)pyrrolidine-2-carboxamide
CID 45483234
N-(4-methylphenyl)-2-morpholinoacetamide
CID 687267
N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 2883500
N'-(3,5-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 2889264
N-(4-methylphenyl)-2-(oxolan-2-ylmethylamino)-2-phenylacetamide
CID 4878482
2-morpholin-4-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 8434659

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethyloxolan-3-yl)amino]-N-(4-methylphenyl)propanamide?
The IUPAC name of 2-[(2,3-dimethyloxolan-3-yl)amino]-N-(4-methylphenyl)propanamide (CID 103581201) is 2-[(2,3-dimethyloxolan-3-yl)amino]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-[(2,3-dimethyloxolan-3-yl)amino]-N-(4-methylphenyl)propanamide?
The canonical SMILES for 2-[(2,3-dimethyloxolan-3-yl)amino]-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)NC2(C)CCOC2C)cc1.
What is the InChIKey of 2-[(2,3-dimethyloxolan-3-yl)amino]-N-(4-methylphenyl)propanamide?
The InChIKey is MHPFQUJLANOSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-5-7-14(8-6-11)17-15(19)12(2)18-16(4)9-10-20-13(16)3/h5-8,12-13,18H,9-10H2,1-4H3,(H,17,19).
What are the key properties of 2-[(2,3-dimethyloxolan-3-yl)amino]-N-(4-methylphenyl)propanamide?
2-[(2,3-dimethyloxolan-3-yl)amino]-N-(4-methylphenyl)propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethyloxolan-3-yl)amino]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 103581201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).