N-[3-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-3-oxo-1-phenylpropyl]benzamide

C27H26N2O4 — CID 55588391

IUPACN-[3-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-3-oxo-1-phenylpropyl]benzamide
SMILESCOc1cccc2cc(C(C)NC(=O)CC(NC(=O)c3ccccc3)c3ccccc3)oc12
InChIInChI=1S/C27H26N2O4/c1-18(24-16-21-14-9-15-23(32-2)26(21)33-24)28-25(30)17-22(19-10-5-3-6-11-19)29-27(31)20-12-7-4-8-13-20/h3-16,18,22H,17H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyQWLBNIWKYRCQHK-UHFFFAOYSA-N
MW442.52 g/mol
LogP5.18
Rot. Bonds8

About N-[3-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-3-oxo-1-phenylpropyl]benzamide

N-[3-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 55588391) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[3-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[3-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID55588391
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC NameN-[3-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-3-oxo-1-phenylpropyl]benzamide
SMILESCOc1cccc2cc(C(C)NC(=O)CC(NC(=O)c3ccccc3)c3ccccc3)oc12
InChIInChI=1S/C27H26N2O4/c1-18(24-16-21-14-9-15-23(32-2)26(21)33-24)28-25(30)17-22(19-10-5-3-6-11-19)29-27(31)20-12-7-4-8-13-20/h3-16,18,22H,17H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyQWLBNIWKYRCQHK-UHFFFAOYSA-N
XLogP5.18
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methoxybenzamide
CID 60607084
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]acetamide
CID 33001757
3-(3,4-dimethoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide
CID 55588613
(3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(carbamoylamino)-3-phenylpropanamide
CID 26132466
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]acetamide
CID 55587219
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273318
N-[(1R)-3-[[(2R)-butan-2-yl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 29195709
1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 39972995
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide
CID 55588775
cis-(1S,2R)-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 51671753
7-methoxy-N-[1-(4-methylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 53281692
1-(7-methoxy-1-benzofuran-2-yl)-N-(2-methoxyethoxy)ethanamine
CID 82715428

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[3-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-3-oxo-1-phenylpropyl]benzamide (CID 55588391) is N-[3-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[3-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[3-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-3-oxo-1-phenylpropyl]benzamide is COc1cccc2cc(C(C)NC(=O)CC(NC(=O)c3ccccc3)c3ccccc3)oc12.
What is the InChIKey of N-[3-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is QWLBNIWKYRCQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-18(24-16-21-14-9-15-23(32-2)26(21)33-24)28-25(30)17-22(19-10-5-3-6-11-19)29-27(31)20-12-7-4-8-13-20/h3-16,18,22H,17H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N-[3-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-3-oxo-1-phenylpropyl]benzamide?
N-[3-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 442.52 g/mol, XLogP of 5.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 55588391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).