(2R)-N-[2-(4-tert-butylphenoxy)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C21H25NO3 — CID 37007441

IUPAC(2R)-N-[2-(4-tert-butylphenoxy)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(C)(C)c1ccc(OCCNC(=O)[C@H]2Cc3ccccc3O2)cc1
InChIInChI=1S/C21H25NO3/c1-21(2,3)16-8-10-17(11-9-16)24-13-12-22-20(23)19-14-15-6-4-5-7-18(15)25-19/h4-11,19H,12-14H2,1-3H3,(H,22,23)/t19-/m1/s1
InChIKeyKBJZXSKYQPWOKV-LJQANCHMSA-N
MW339.44 g/mol
LogP3.48
Rot. Bonds5

About (2R)-N-[2-(4-tert-butylphenoxy)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-N-[2-(4-tert-butylphenoxy)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 37007441) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is (2R)-N-[2-(4-tert-butylphenoxy)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-tert-butylphenoxy)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID37007441
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name(2R)-N-[2-(4-tert-butylphenoxy)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(C)(C)c1ccc(OCCNC(=O)[C@H]2Cc3ccccc3O2)cc1
InChIInChI=1S/C21H25NO3/c1-21(2,3)16-8-10-17(11-9-16)24-13-12-22-20(23)19-14-15-6-4-5-7-18(15)25-19/h4-11,19H,12-14H2,1-3H3,(H,22,23)/t19-/m1/s1
InChIKeyKBJZXSKYQPWOKV-LJQANCHMSA-N
XLogP3.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methylpropoxy)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51073673
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698814
(2R)-N-[2-(4-tert-butylphenoxy)ethyl]-4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 125064240
N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133406
1-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-3-[2-(2-phenoxyethoxy)ethyl]urea
CID 95143354
N-[2-(ethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119507846
N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 113295190
N-(4-ethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089338
N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133562
N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide
CID 94868061
N-[2-(4-tert-butylphenoxy)ethyl]-6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 133235847
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698832

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-tert-butylphenoxy)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-N-[2-(4-tert-butylphenoxy)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 37007441) is (2R)-N-[2-(4-tert-butylphenoxy)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(4-tert-butylphenoxy)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(4-tert-butylphenoxy)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is CC(C)(C)c1ccc(OCCNC(=O)[C@H]2Cc3ccccc3O2)cc1.
What is the InChIKey of (2R)-N-[2-(4-tert-butylphenoxy)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is KBJZXSKYQPWOKV-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25NO3/c1-21(2,3)16-8-10-17(11-9-16)24-13-12-22-20(23)19-14-15-6-4-5-7-18(15)25-19/h4-11,19H,12-14H2,1-3H3,(H,22,23)/t19-/m1/s1.
What are the key properties of (2R)-N-[2-(4-tert-butylphenoxy)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-N-[2-(4-tert-butylphenoxy)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-tert-butylphenoxy)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 37007441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).