N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C21H23N3O4 — CID 55527226

IUPACN-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCC1CCCO1)Nc1ccc(NC(=O)C2Cc3ccccc3O2)cc1
InChIInChI=1S/C21H23N3O4/c25-20(19-12-14-4-1-2-6-18(14)28-19)23-15-7-9-16(10-8-15)24-21(26)22-13-17-5-3-11-27-17/h1-2,4,6-10,17,19H,3,5,11-13H2,(H,23,25)(H2,22,24,26)
InChIKeyXLQPWYPICMCDIA-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.93
Rot. Bonds5

About N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 55527226) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID55527226
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCC1CCCO1)Nc1ccc(NC(=O)C2Cc3ccccc3O2)cc1
InChIInChI=1S/C21H23N3O4/c25-20(19-12-14-4-1-2-6-18(14)28-19)23-15-7-9-16(10-8-15)24-21(26)22-13-17-5-3-11-27-17/h1-2,4,6-10,17,19H,3,5,11-13H2,(H,23,25)(H2,22,24,26)
InChIKeyXLQPWYPICMCDIA-UHFFFAOYSA-N
XLogP2.93
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-(oxolan-2-ylmethylcarbamoylamino)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-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119701987
2-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974690
N-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43208767
1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 134039404
N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18070767
N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47114339
4-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoylamino]butanoic acid
CID 122079897
4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180641
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
(3R)-N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 92662175
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 27474064
1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 108875185

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 55527226) is N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NCC1CCCO1)Nc1ccc(NC(=O)C2Cc3ccccc3O2)cc1.
What is the InChIKey of N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is XLQPWYPICMCDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c25-20(19-12-14-4-1-2-6-18(14)28-19)23-15-7-9-16(10-8-15)24-21(26)22-13-17-5-3-11-27-17/h1-2,4,6-10,17,19H,3,5,11-13H2,(H,23,25)(H2,22,24,26).
What are the key properties of N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55527226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).