2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]oxane-3-carboxamide

C20H29NO3 — CID 129000644

IUPAC2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]oxane-3-carboxamide
SMILESCc1ccccc1C1(CNC(=O)C2CCCOC2C)CCOCC1
InChIInChI=1S/C20H29NO3/c1-15-6-3-4-8-18(15)20(9-12-23-13-10-20)14-21-19(22)17-7-5-11-24-16(17)2/h3-4,6,8,16-17H,5,7,9-14H2,1-2H3,(H,21,22)
InChIKeyFJYSMZUETVHJCB-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.97
Rot. Bonds4

About 2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]oxane-3-carboxamide

2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]oxane-3-carboxamide (PubChem CID 129000644) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]oxane-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]oxane-3-carboxamide
PubChem CID129000644
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]oxane-3-carboxamide
SMILESCc1ccccc1C1(CNC(=O)C2CCCOC2C)CCOCC1
InChIInChI=1S/C20H29NO3/c1-15-6-3-4-8-18(15)20(9-12-23-13-10-20)14-21-19(22)17-7-5-11-24-16(17)2/h3-4,6,8,16-17H,5,7,9-14H2,1-2H3,(H,21,22)
InChIKeyFJYSMZUETVHJCB-UHFFFAOYSA-N
XLogP2.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 47071133
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide
CID 119749802
(1S)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 94626737
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119749801
9-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987365
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 86835660
2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 154856535
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 47071137
N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119315824
1-(1-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]urea
CID 110904185
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide
CID 119749830
2-(4-aminophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 119749794

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]oxane-3-carboxamide?
The IUPAC name of 2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]oxane-3-carboxamide (CID 129000644) is 2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]oxane-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]oxane-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]oxane-3-carboxamide is Cc1ccccc1C1(CNC(=O)C2CCCOC2C)CCOCC1.
What is the InChIKey of 2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]oxane-3-carboxamide?
The InChIKey is FJYSMZUETVHJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c1-15-6-3-4-8-18(15)20(9-12-23-13-10-20)14-21-19(22)17-7-5-11-24-16(17)2/h3-4,6,8,16-17H,5,7,9-14H2,1-2H3,(H,21,22).
What are the key properties of 2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]oxane-3-carboxamide?
2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]oxane-3-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]oxane-3-carboxamide is sourced from PubChem (CID 129000644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).