N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-2,3-dihydro-1H-isoindole-1-carboxamide

C20H23N3O4 — CID 87107929

IUPACN-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-2,3-dihydro-1H-isoindole-1-carboxamide
SMILESCCCC(NC(=O)C1NCc2ccccc21)Oc1ccc(C(=O)NO)cc1
InChIInChI=1S/C20H23N3O4/c1-2-5-17(27-15-10-8-13(9-11-15)19(24)23-26)22-20(25)18-16-7-4-3-6-14(16)12-21-18/h3-4,6-11,17-18,21,26H,2,5,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyDRARRUYDQUVNTM-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.27
Rot. Bonds7

About N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-2,3-dihydro-1H-isoindole-1-carboxamide

N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-2,3-dihydro-1H-isoindole-1-carboxamide (PubChem CID 87107929) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-2,3-dihydro-1H-isoindole-1-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-2,3-dihydro-1H-isoindole-1-carboxamide
PubChem CID87107929
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-2,3-dihydro-1H-isoindole-1-carboxamide
SMILESCCCC(NC(=O)C1NCc2ccccc21)Oc1ccc(C(=O)NO)cc1
InChIInChI=1S/C20H23N3O4/c1-2-5-17(27-15-10-8-13(9-11-15)19(24)23-26)22-20(25)18-16-7-4-3-6-14(16)12-21-18/h3-4,6-11,17-18,21,26H,2,5,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyDRARRUYDQUVNTM-UHFFFAOYSA-N
XLogP2.27
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(1,2,3,4-tetrahydroisoquinoline-1-carbonylamino)pentanoic acid
CID 107565087
N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxamide
CID 87108504
N-hexan-3-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 62118209
1-(2,3-dihydro-1H-isoindol-1-yl)-2-methylpropan-1-one
CID 166510836
methyl (2S)-2-(2,3-dihydro-1H-isoindole-1-carbonylamino)-3-(2-oxopyrrolidin-3-yl)propanoate
CID 175458039
1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylethanone
CID 90758928
(2S)-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid
CID 103869739
N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-5-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-2-carboxamide
CID 87108915
2,3-dihydro-1H-isoindol-1-yl-(4-methylpiperazin-1-yl)methanone
CID 115104650
N-pentan-2-ylnaphthalene-2-carboxamide
CID 15622075
N-(1-ethylsulfanylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 115739946
2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)hexanoic acid
CID 65262053

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-2,3-dihydro-1H-isoindole-1-carboxamide?
The IUPAC name of N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-2,3-dihydro-1H-isoindole-1-carboxamide (CID 87107929) is N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-2,3-dihydro-1H-isoindole-1-carboxamide.
What is the SMILES notation for N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-2,3-dihydro-1H-isoindole-1-carboxamide?
The canonical SMILES for N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-2,3-dihydro-1H-isoindole-1-carboxamide is CCCC(NC(=O)C1NCc2ccccc21)Oc1ccc(C(=O)NO)cc1.
What is the InChIKey of N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-2,3-dihydro-1H-isoindole-1-carboxamide?
The InChIKey is DRARRUYDQUVNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-2-5-17(27-15-10-8-13(9-11-15)19(24)23-26)22-20(25)18-16-7-4-3-6-14(16)12-21-18/h3-4,6-11,17-18,21,26H,2,5,12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-2,3-dihydro-1H-isoindole-1-carboxamide?
N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-2,3-dihydro-1H-isoindole-1-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 2.27, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-2,3-dihydro-1H-isoindole-1-carboxamide is sourced from PubChem (CID 87107929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).