N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C28H29N3O4 — CID 55970901

IUPACN-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCc1cccc(CN2CCOCC2)c1)c1cccc(NC(=O)C2Cc3ccccc3O2)c1
InChIInChI=1S/C28H29N3O4/c32-27(29-18-20-5-3-6-21(15-20)19-31-11-13-34-14-12-31)23-8-4-9-24(16-23)30-28(33)26-17-22-7-1-2-10-25(22)35-26/h1-10,15-16,26H,11-14,17-19H2,(H,29,32)(H,30,33)
InChIKeyAHPLXWOTGOHOPJ-UHFFFAOYSA-N
MW471.56 g/mol
LogP3.39
Rot. Bonds7

About N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 55970901) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID55970901
Molecular FormulaC28H29N3O4
Molecular Weight471.56 g/mol
Exact Mass471.22
IUPAC NameN-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCc1cccc(CN2CCOCC2)c1)c1cccc(NC(=O)C2Cc3ccccc3O2)c1
InChIInChI=1S/C28H29N3O4/c32-27(29-18-20-5-3-6-21(15-20)19-31-11-13-34-14-12-31)23-8-4-9-24(16-23)30-28(33)26-17-22-7-1-2-10-25(22)35-26/h1-10,15-16,26H,11-14,17-19H2,(H,29,32)(H,30,33)
InChIKeyAHPLXWOTGOHOPJ-UHFFFAOYSA-N
XLogP3.39
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55792754
N-[3-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55868914
(2S)-N-[3-[[4-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 32781324
N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18140061
N-[3-(3-aminopropylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 119406678
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-[3-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55793040
N-[3-(bromomethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 114307272
N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55792440
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-[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 55970901) is N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NCc1cccc(CN2CCOCC2)c1)c1cccc(NC(=O)C2Cc3ccccc3O2)c1.
What is the InChIKey of N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is AHPLXWOTGOHOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4/c32-27(29-18-20-5-3-6-21(15-20)19-31-11-13-34-14-12-31)23-8-4-9-24(16-23)30-28(33)26-17-22-7-1-2-10-25(22)35-26/h1-10,15-16,26H,11-14,17-19H2,(H,29,32)(H,30,33).
What are the key properties of N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55970901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).