N-hydroxy-6-[4-(pyrrolidin-3-ylcarbamoyl)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C22H25N3O4 — CID 58055330

IUPACN-hydroxy-6-[4-(pyrrolidin-3-ylcarbamoyl)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NC1CCNC1)c1ccc(Oc2ccc3c(c2)CCC(C(=O)NO)C3)cc1
InChIInChI=1S/C22H25N3O4/c26-21(24-18-9-10-23-13-18)14-3-6-19(7-4-14)29-20-8-5-15-11-17(22(27)25-28)2-1-16(15)12-20/h3-8,12,17-18,23,28H,1-2,9-11,13H2,(H,24,26)(H,25,27)
InChIKeyCRWRYUFAZCFLAG-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.18
Rot. Bonds5

About N-hydroxy-6-[4-(pyrrolidin-3-ylcarbamoyl)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-hydroxy-6-[4-(pyrrolidin-3-ylcarbamoyl)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 58055330) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-hydroxy-6-[4-(pyrrolidin-3-ylcarbamoyl)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-[4-(pyrrolidin-3-ylcarbamoyl)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID58055330
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-hydroxy-6-[4-(pyrrolidin-3-ylcarbamoyl)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NC1CCNC1)c1ccc(Oc2ccc3c(c2)CCC(C(=O)NO)C3)cc1
InChIInChI=1S/C22H25N3O4/c26-21(24-18-9-10-23-13-18)14-3-6-19(7-4-14)29-20-8-5-15-11-17(22(27)25-28)2-1-16(15)12-20/h3-8,12,17-18,23,28H,1-2,9-11,13H2,(H,24,26)(H,25,27)
InChIKeyCRWRYUFAZCFLAG-UHFFFAOYSA-N
XLogP2.18
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453836
4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689032
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methoxybenzamide
CID 66663510
4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453188
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
(2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 56601558
N-pyrrolidin-3-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 119453360
N-piperidin-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126396
4-(cyclopropanecarbonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453816
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
N-[(3R)-pyrrolidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]benzamide
CID 126431501
N-piperidin-4-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126391

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[4-(pyrrolidin-3-ylcarbamoyl)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-hydroxy-6-[4-(pyrrolidin-3-ylcarbamoyl)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 58055330) is N-hydroxy-6-[4-(pyrrolidin-3-ylcarbamoyl)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-hydroxy-6-[4-(pyrrolidin-3-ylcarbamoyl)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-hydroxy-6-[4-(pyrrolidin-3-ylcarbamoyl)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is O=C(NC1CCNC1)c1ccc(Oc2ccc3c(c2)CCC(C(=O)NO)C3)cc1.
What is the InChIKey of N-hydroxy-6-[4-(pyrrolidin-3-ylcarbamoyl)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is CRWRYUFAZCFLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c26-21(24-18-9-10-23-13-18)14-3-6-19(7-4-14)29-20-8-5-15-11-17(22(27)25-28)2-1-16(15)12-20/h3-8,12,17-18,23,28H,1-2,9-11,13H2,(H,24,26)(H,25,27).
What are the key properties of N-hydroxy-6-[4-(pyrrolidin-3-ylcarbamoyl)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-hydroxy-6-[4-(pyrrolidin-3-ylcarbamoyl)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[4-(pyrrolidin-3-ylcarbamoyl)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 58055330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).