(7S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide

C24H29N3O3 — CID 122623007

IUPAC(7S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
SMILESCN(C)CCc1ccc(N(O)C(=O)c2ccc3c(c2)C[C@]2(CCNC2=O)CC3)cc1
InChIInChI=1S/C24H29N3O3/c1-26(2)14-10-17-3-7-21(8-4-17)27(30)22(28)19-6-5-18-9-11-24(16-20(18)15-19)12-13-25-23(24)29/h3-8,15,30H,9-14,16H2,1-2H3,(H,25,29)/t24-/m1/s1
InChIKeyAFEOMJMGHBSVLU-XMMPIXPASA-N
MW407.51 g/mol
LogP2.82
Rot. Bonds5

About (7S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide

(7S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide (PubChem CID 122623007) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is (7S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide.

Molecular Properties

Compound Name(7S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
PubChem CID122623007
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name(7S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
SMILESCN(C)CCc1ccc(N(O)C(=O)c2ccc3c(c2)C[C@]2(CCNC2=O)CC3)cc1
InChIInChI=1S/C24H29N3O3/c1-26(2)14-10-17-3-7-21(8-4-17)27(30)22(28)19-6-5-18-9-11-24(16-20(18)15-19)12-13-25-23(24)29/h3-8,15,30H,9-14,16H2,1-2H3,(H,25,29)/t24-/m1/s1
InChIKeyAFEOMJMGHBSVLU-XMMPIXPASA-N
XLogP2.82
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(7S)-N-hydroxy-2'-oxo-N-pyridin-3-ylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122622984
(6S)-N-[6-(dimethylamino)-3-pyridinyl]-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122624614
(6R)-N-hydroxy-N-(6-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122624547
(7S)-N-hydroxy-N-[(2-methylphenyl)methyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122623083
(6R)-N-hydroxy-2'-oxo-N-quinolin-3-ylspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122624596
(7S)-N-[(3-fluorophenyl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122622966
methyl (7S)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate
CID 122619725
(7S)-N-hydroxy-2'-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122623057
(6R)-N-hydroxy-N-[(4-methylsulfonylphenyl)methyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122624532
(6S)-N-hydroxy-N-(4-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122624611
(7S)-N-hydroxy-2'-oxo-N-(3-phenylprop-2-enyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122623062
7-acetylspiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2'-one
CID 122634837

Frequently Asked Questions

What is the IUPAC name of (7S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
The IUPAC name of (7S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide (CID 122623007) is (7S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide.
What is the SMILES notation for (7S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
The canonical SMILES for (7S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide is CN(C)CCc1ccc(N(O)C(=O)c2ccc3c(c2)C[C@]2(CCNC2=O)CC3)cc1.
What is the InChIKey of (7S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
The InChIKey is AFEOMJMGHBSVLU-XMMPIXPASA-N. The full InChI is InChI=1S/C24H29N3O3/c1-26(2)14-10-17-3-7-21(8-4-17)27(30)22(28)19-6-5-18-9-11-24(16-20(18)15-19)12-13-25-23(24)29/h3-8,15,30H,9-14,16H2,1-2H3,(H,25,29)/t24-/m1/s1.
What are the key properties of (7S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
(7S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide is sourced from PubChem (CID 122623007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).