N-[3-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C26H24N4O5 — CID 55868914

IUPACN-[3-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNC(=O)CNC(=O)c1ccc(CNC(=O)c2cccc(NC(=O)C3Cc4ccccc4O3)c2)cc1
InChIInChI=1S/C26H24N4O5/c27-23(31)15-29-24(32)17-10-8-16(9-11-17)14-28-25(33)19-5-3-6-20(12-19)30-26(34)22-13-18-4-1-2-7-21(18)35-22/h1-12,22H,13-15H2,(H2,27,31)(H,28,33)(H,29,32)(H,30,34)
InChIKeyYUBNRGVSARUULN-UHFFFAOYSA-N
MW472.50 g/mol
LogP1.77
Rot. Bonds8

About N-[3-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[3-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 55868914) has the molecular formula C26H24N4O5 and a molecular weight of 472.50 g/mol. Its IUPAC name is N-[3-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID55868914
Molecular FormulaC26H24N4O5
Molecular Weight472.50 g/mol
Exact Mass472.17
IUPAC NameN-[3-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNC(=O)CNC(=O)c1ccc(CNC(=O)c2cccc(NC(=O)C3Cc4ccccc4O3)c2)cc1
InChIInChI=1S/C26H24N4O5/c27-23(31)15-29-24(32)17-10-8-16(9-11-17)14-28-25(33)19-5-3-6-20(12-19)30-26(34)22-13-18-4-1-2-7-21(18)35-22/h1-12,22H,13-15H2,(H2,27,31)(H,28,33)(H,29,32)(H,30,34)
InChIKeyYUBNRGVSARUULN-UHFFFAOYSA-N
XLogP1.77
TPSA139.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[3-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

N-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55792754
N-[3-(3-aminopropylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 119406678
N-[3-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55793040
N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18140061
N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55970901
N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55792440
N-[3-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55837627
6-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]hexanoic acid
CID 119352210
N-[3-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 56577299
N-[[4-(carbamoylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42936919
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46494494
2-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]butanoic acid
CID 120523389

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 55868914) is N-[3-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is NC(=O)CNC(=O)c1ccc(CNC(=O)c2cccc(NC(=O)C3Cc4ccccc4O3)c2)cc1.
What is the InChIKey of N-[3-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is YUBNRGVSARUULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O5/c27-23(31)15-29-24(32)17-10-8-16(9-11-17)14-28-25(33)19-5-3-6-20(12-19)30-26(34)22-13-18-4-1-2-7-21(18)35-22/h1-12,22H,13-15H2,(H2,27,31)(H,28,33)(H,29,32)(H,30,34).
What are the key properties of N-[3-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[3-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 472.50 g/mol, XLogP of 1.77, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55868914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).