N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]acetamide

C20H30N2O3 — CID 71859833

IUPACN-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCC(OCC3CCCO3)CC2)c(C)c1
InChIInChI=1S/C20H30N2O3/c1-15-5-6-19(16(2)12-15)21-20(23)13-22-9-7-17(8-10-22)25-14-18-4-3-11-24-18/h5-6,12,17-18H,3-4,7-11,13-14H2,1-2H3,(H,21,23)
InChIKeyNZCVJKWZPWGMKK-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.90
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]acetamide

N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]acetamide (PubChem CID 71859833) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]acetamide
PubChem CID71859833
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCC(OCC3CCCO3)CC2)c(C)c1
InChIInChI=1S/C20H30N2O3/c1-15-5-6-19(16(2)12-15)21-20(23)13-22-9-7-17(8-10-22)25-14-18-4-3-11-24-18/h5-6,12,17-18H,3-4,7-11,13-14H2,1-2H3,(H,21,23)
InChIKeyNZCVJKWZPWGMKK-UHFFFAOYSA-N
XLogP2.90
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-2-(4-formylpiperidin-1-yl)acetamide
CID 62655914
N-(2,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79833810
N-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 103657286
N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821256
1-(4-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]ethanol
CID 111916541
2-[4,7-bis(carboxymethyl)-10-[2-(2,4-dimethylanilino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 58121003
N-(2,4-dimethylphenyl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 53152283
N-(2,4-dimethylphenyl)-2-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 53152305
1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 6467733
3-methyl-N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide
CID 94621924
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 16910167
4-(oxolan-2-ylmethoxy)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide
CID 126770005

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]acetamide (CID 71859833) is N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]acetamide is Cc1ccc(NC(=O)CN2CCC(OCC3CCCO3)CC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]acetamide?
The InChIKey is NZCVJKWZPWGMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15-5-6-19(16(2)12-15)21-20(23)13-22-9-7-17(8-10-22)25-14-18-4-3-11-24-18/h5-6,12,17-18H,3-4,7-11,13-14H2,1-2H3,(H,21,23).
What are the key properties of N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]acetamide has a molecular weight of 346.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]acetamide is sourced from PubChem (CID 71859833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).