N-(3,5-dimethylphenyl)-4-(ethylamino)-N-methyloxolane-3-carboxamide

C16H24N2O2 — CID 66260067

IUPACN-(3,5-dimethylphenyl)-4-(ethylamino)-N-methyloxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)N(C)c1cc(C)cc(C)c1
InChIInChI=1S/C16H24N2O2/c1-5-17-15-10-20-9-14(15)16(19)18(4)13-7-11(2)6-12(3)8-13/h6-8,14-15,17H,5,9-10H2,1-4H3
InChIKeyMPWKMHYPDDFZJV-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.89
Rot. Bonds4

About N-(3,5-dimethylphenyl)-4-(ethylamino)-N-methyloxolane-3-carboxamide

N-(3,5-dimethylphenyl)-4-(ethylamino)-N-methyloxolane-3-carboxamide (PubChem CID 66260067) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-(ethylamino)-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-(ethylamino)-N-methyloxolane-3-carboxamide
PubChem CID66260067
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(3,5-dimethylphenyl)-4-(ethylamino)-N-methyloxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)N(C)c1cc(C)cc(C)c1
InChIInChI=1S/C16H24N2O2/c1-5-17-15-10-20-9-14(15)16(19)18(4)13-7-11(2)6-12(3)8-13/h6-8,14-15,17H,5,9-10H2,1-4H3
InChIKeyMPWKMHYPDDFZJV-UHFFFAOYSA-N
XLogP1.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66256169
4-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]benzoic acid
CID 104698721
N-ethyl-4-(ethylamino)-N-(4-methylphenyl)oxolane-3-carboxamide
CID 66260259
4-(ethylamino)-N-[(4-ethylphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 66259629
N-(3-bromo-5-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 107583569
methyl 2-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]acetate
CID 66260426
N-[(3,4-difluorophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide
CID 66257909
N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide
CID 66258296
N-[(5-bromothiophen-3-yl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide
CID 66258717
4-(ethylamino)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide
CID 66258659
N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N-methyloxolane-3-carboxamide
CID 66258493
N-[2-(dimethylamino)ethyl]-4-(ethylamino)-N-propyloxolane-3-carboxamide
CID 66259680

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-(ethylamino)-N-methyloxolane-3-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-(ethylamino)-N-methyloxolane-3-carboxamide (CID 66260067) is N-(3,5-dimethylphenyl)-4-(ethylamino)-N-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-(ethylamino)-N-methyloxolane-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-(ethylamino)-N-methyloxolane-3-carboxamide is CCNC1COCC1C(=O)N(C)c1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-(ethylamino)-N-methyloxolane-3-carboxamide?
The InChIKey is MPWKMHYPDDFZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-17-15-10-20-9-14(15)16(19)18(4)13-7-11(2)6-12(3)8-13/h6-8,14-15,17H,5,9-10H2,1-4H3.
What are the key properties of N-(3,5-dimethylphenyl)-4-(ethylamino)-N-methyloxolane-3-carboxamide?
N-(3,5-dimethylphenyl)-4-(ethylamino)-N-methyloxolane-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-(ethylamino)-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 66260067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).