N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C22H27NO4 — CID 55638891

IUPACN-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCOc1cc(C(C)NC(=O)C2Cc3ccccc3O2)ccc1OCC(C)C
InChIInChI=1S/C22H27NO4/c1-14(2)13-26-19-10-9-16(11-20(19)25-4)15(3)23-22(24)21-12-17-7-5-6-8-18(17)27-21/h5-11,14-15,21H,12-13H2,1-4H3,(H,23,24)
InChIKeyGIQAODJQZVWOEY-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.91
Rot. Bonds7

About N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 55638891) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID55638891
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC NameN-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCOc1cc(C(C)NC(=O)C2Cc3ccccc3O2)ccc1OCC(C)C
InChIInChI=1S/C22H27NO4/c1-14(2)13-26-19-10-9-16(11-20(19)25-4)15(3)23-22(24)21-12-17-7-5-6-8-18(17)27-21/h5-11,14-15,21H,12-13H2,1-4H3,(H,23,24)
InChIKeyGIQAODJQZVWOEY-UHFFFAOYSA-N
XLogP3.91
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 92677021
2-[4-[(1R)-1-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 129469380
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 119294139
(2R)-N-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8531124
N-[1-(3-chlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42892740
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17438968
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide
CID 119294135
(2R)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 38012735
(2R)-N-[(1S)-1-(3-acetamidophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 37462398
1-(2-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55637454
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119732102
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 42958521

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 55638891) is N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is COc1cc(C(C)NC(=O)C2Cc3ccccc3O2)ccc1OCC(C)C.
What is the InChIKey of N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is GIQAODJQZVWOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-14(2)13-26-19-10-9-16(11-20(19)25-4)15(3)23-22(24)21-12-17-7-5-6-8-18(17)27-21/h5-11,14-15,21H,12-13H2,1-4H3,(H,23,24).
What are the key properties of N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 369.46 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55638891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).