N,N-diethyl-2-[(2R,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide

C19H37NO2 — CID 40900561

IUPACN,N-diethyl-2-[(2R,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide
SMILESCCN(CC)C(=O)C[C@]1(CCC(C)C)CCO[C@@H](C(C)C)C1
InChIInChI=1S/C19H37NO2/c1-7-20(8-2)18(21)14-19(10-9-15(3)4)11-12-22-17(13-19)16(5)6/h15-17H,7-14H2,1-6H3/t17-,19-/m1/s1
InChIKeyGTTBQRNGTQUNST-IEBWSBKVSA-N
MW311.51 g/mol
LogP4.50
Rot. Bonds8

About N,N-diethyl-2-[(2R,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide

N,N-diethyl-2-[(2R,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide (PubChem CID 40900561) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is N,N-diethyl-2-[(2R,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(2R,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide
PubChem CID40900561
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC NameN,N-diethyl-2-[(2R,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide
SMILESCCN(CC)C(=O)C[C@]1(CCC(C)C)CCO[C@@H](C(C)C)C1
InChIInChI=1S/C19H37NO2/c1-7-20(8-2)18(21)14-19(10-9-15(3)4)11-12-22-17(13-19)16(5)6/h15-17H,7-14H2,1-6H3/t17-,19-/m1/s1
InChIKeyGTTBQRNGTQUNST-IEBWSBKVSA-N
XLogP4.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(2R,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[(2R,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide (CID 40900561) is N,N-diethyl-2-[(2R,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(2R,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(2R,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide is CCN(CC)C(=O)C[C@]1(CCC(C)C)CCO[C@@H](C(C)C)C1.
What is the InChIKey of N,N-diethyl-2-[(2R,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide?
The InChIKey is GTTBQRNGTQUNST-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H37NO2/c1-7-20(8-2)18(21)14-19(10-9-15(3)4)11-12-22-17(13-19)16(5)6/h15-17H,7-14H2,1-6H3/t17-,19-/m1/s1.
What are the key properties of N,N-diethyl-2-[(2R,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide?
N,N-diethyl-2-[(2R,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide has a molecular weight of 311.51 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(2R,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]acetamide is sourced from PubChem (CID 40900561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).