(2R)-2-acetamido-3-cyclobutyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)propanamide

C19H26N2O3 — CID 166218708

IUPAC(2R)-2-acetamido-3-cyclobutyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)propanamide
SMILESCC(=O)N[C@H](CC1CCC1)C(=O)NCC1CCOc2ccccc21
InChIInChI=1S/C19H26N2O3/c1-13(22)21-17(11-14-5-4-6-14)19(23)20-12-15-9-10-24-18-8-3-2-7-16(15)18/h2-3,7-8,14-15,17H,4-6,9-12H2,1H3,(H,20,23)(H,21,22)/t15?,17-/m1/s1
InChIKeyNARIBZJWBQITAY-OMOCHNIRSA-N
MW330.43 g/mol
LogP2.36
Rot. Bonds6

About (2R)-2-acetamido-3-cyclobutyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)propanamide

(2R)-2-acetamido-3-cyclobutyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)propanamide (PubChem CID 166218708) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2R)-2-acetamido-3-cyclobutyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-3-cyclobutyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)propanamide
PubChem CID166218708
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(2R)-2-acetamido-3-cyclobutyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)propanamide
SMILESCC(=O)N[C@H](CC1CCC1)C(=O)NCC1CCOc2ccccc21
InChIInChI=1S/C19H26N2O3/c1-13(22)21-17(11-14-5-4-6-14)19(23)20-12-15-9-10-24-18-8-3-2-7-16(15)18/h2-3,7-8,14-15,17H,4-6,9-12H2,1H3,(H,20,23)(H,21,22)/t15?,17-/m1/s1
InChIKeyNARIBZJWBQITAY-OMOCHNIRSA-N
XLogP2.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-cyclobutyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)propanamide?
The IUPAC name of (2R)-2-acetamido-3-cyclobutyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)propanamide (CID 166218708) is (2R)-2-acetamido-3-cyclobutyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-acetamido-3-cyclobutyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-acetamido-3-cyclobutyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)propanamide is CC(=O)N[C@H](CC1CCC1)C(=O)NCC1CCOc2ccccc21.
What is the InChIKey of (2R)-2-acetamido-3-cyclobutyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)propanamide?
The InChIKey is NARIBZJWBQITAY-OMOCHNIRSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13(22)21-17(11-14-5-4-6-14)19(23)20-12-15-9-10-24-18-8-3-2-7-16(15)18/h2-3,7-8,14-15,17H,4-6,9-12H2,1H3,(H,20,23)(H,21,22)/t15?,17-/m1/s1.
What are the key properties of (2R)-2-acetamido-3-cyclobutyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)propanamide?
(2R)-2-acetamido-3-cyclobutyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)propanamide has a molecular weight of 330.43 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-cyclobutyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)propanamide is sourced from PubChem (CID 166218708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).