N,N-diethyl-2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]acetamide

C21H33NO3 — CID 3758231

IUPACN,N-diethyl-2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]acetamide
SMILESCCN(CC)C(=O)CC1(c2ccccc2OC)CCOC(C(C)C)C1
InChIInChI=1S/C21H33NO3/c1-6-22(7-2)20(23)15-21(12-13-25-19(14-21)16(3)4)17-10-8-9-11-18(17)24-5/h8-11,16,19H,6-7,12-15H2,1-5H3
InChIKeyKAOXPSMRKDCCFS-UHFFFAOYSA-N
MW347.50 g/mol
LogP4.03
Rot. Bonds7

About N,N-diethyl-2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]acetamide

N,N-diethyl-2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]acetamide (PubChem CID 3758231) has the molecular formula C21H33NO3 and a molecular weight of 347.50 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]acetamide
PubChem CID3758231
Molecular FormulaC21H33NO3
Molecular Weight347.50 g/mol
Exact Mass347.25
IUPAC NameN,N-diethyl-2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]acetamide
SMILESCCN(CC)C(=O)CC1(c2ccccc2OC)CCOC(C(C)C)C1
InChIInChI=1S/C21H33NO3/c1-6-22(7-2)20(23)15-21(12-13-25-19(14-21)16(3)4)17-10-8-9-11-18(17)24-5/h8-11,16,19H,6-7,12-15H2,1-5H3
InChIKeyKAOXPSMRKDCCFS-UHFFFAOYSA-N
XLogP4.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]acetamide (CID 3758231) is N,N-diethyl-2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]acetamide is CCN(CC)C(=O)CC1(c2ccccc2OC)CCOC(C(C)C)C1.
What is the InChIKey of N,N-diethyl-2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]acetamide?
The InChIKey is KAOXPSMRKDCCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO3/c1-6-22(7-2)20(23)15-21(12-13-25-19(14-21)16(3)4)17-10-8-9-11-18(17)24-5/h8-11,16,19H,6-7,12-15H2,1-5H3.
What are the key properties of N,N-diethyl-2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]acetamide?
N,N-diethyl-2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]acetamide has a molecular weight of 347.50 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]acetamide is sourced from PubChem (CID 3758231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).