N-[[(1R,2R)-2-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]cyclopropyl]methyl]acetamide

C24H29NO2 — CID 11581340

IUPACN-[[(1R,2R)-2-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]cyclopropyl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1C[C@@H](CCCCc1ccccc1)O2
InChIInChI=1S/C24H29NO2/c1-17(26)25-16-19-14-22(19)21-12-7-13-24-23(21)15-20(27-24)11-6-5-10-18-8-3-2-4-9-18/h2-4,7-9,12-13,19-20,22H,5-6,10-11,14-16H2,1H3,(H,25,26)/t19-,20+,22+/m0/s1
InChIKeyNRYQPXBVXFULBN-TUNNFDKTSA-N
MW363.50 g/mol
LogP4.64
Rot. Bonds8

About N-[[(1R,2R)-2-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]cyclopropyl]methyl]acetamide

N-[[(1R,2R)-2-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]cyclopropyl]methyl]acetamide (PubChem CID 11581340) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-[[(1R,2R)-2-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]cyclopropyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(1R,2R)-2-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]cyclopropyl]methyl]acetamide
PubChem CID11581340
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC NameN-[[(1R,2R)-2-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]cyclopropyl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1C[C@@H](CCCCc1ccccc1)O2
InChIInChI=1S/C24H29NO2/c1-17(26)25-16-19-14-22(19)21-12-7-13-24-23(21)15-20(27-24)11-6-5-10-18-8-3-2-4-9-18/h2-4,7-9,12-13,19-20,22H,5-6,10-11,14-16H2,1H3,(H,25,26)/t19-,20+,22+/m0/s1
InChIKeyNRYQPXBVXFULBN-TUNNFDKTSA-N
XLogP4.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R)-2-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]cyclopropyl]methyl]acetamide?
The IUPAC name of N-[[(1R,2R)-2-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]cyclopropyl]methyl]acetamide (CID 11581340) is N-[[(1R,2R)-2-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]cyclopropyl]methyl]acetamide.
What is the SMILES notation for N-[[(1R,2R)-2-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]cyclopropyl]methyl]acetamide?
The canonical SMILES for N-[[(1R,2R)-2-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]cyclopropyl]methyl]acetamide is CC(=O)NC[C@@H]1C[C@H]1c1cccc2c1C[C@@H](CCCCc1ccccc1)O2.
What is the InChIKey of N-[[(1R,2R)-2-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]cyclopropyl]methyl]acetamide?
The InChIKey is NRYQPXBVXFULBN-TUNNFDKTSA-N. The full InChI is InChI=1S/C24H29NO2/c1-17(26)25-16-19-14-22(19)21-12-7-13-24-23(21)15-20(27-24)11-6-5-10-18-8-3-2-4-9-18/h2-4,7-9,12-13,19-20,22H,5-6,10-11,14-16H2,1H3,(H,25,26)/t19-,20+,22+/m0/s1.
What are the key properties of N-[[(1R,2R)-2-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]cyclopropyl]methyl]acetamide?
N-[[(1R,2R)-2-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]cyclopropyl]methyl]acetamide has a molecular weight of 363.50 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R)-2-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]cyclopropyl]methyl]acetamide is sourced from PubChem (CID 11581340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).