2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(3-methoxyphenyl)diazinane-1-carboxamide

C22H32N4O5 — CID 56670435

IUPAC2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(3-methoxyphenyl)diazinane-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCCN2C(=O)[C@H](CC2CCCC2)CN(O)C=O)c1
InChIInChI=1S/C22H32N4O5/c1-31-20-10-6-9-19(14-20)23-22(29)26-12-5-4-11-25(26)21(28)18(15-24(30)16-27)13-17-7-2-3-8-17/h6,9-10,14,16-18,30H,2-5,7-8,11-13,15H2,1H3,(H,23,29)/t18-/m1/s1
InChIKeyADDUSXGIWKFTBR-GOSISDBHSA-N
MW432.52 g/mol
LogP3.11
Rot. Bonds8

About 2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(3-methoxyphenyl)diazinane-1-carboxamide

2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(3-methoxyphenyl)diazinane-1-carboxamide (PubChem CID 56670435) has the molecular formula C22H32N4O5 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(3-methoxyphenyl)diazinane-1-carboxamide.

Molecular Properties

Compound Name2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(3-methoxyphenyl)diazinane-1-carboxamide
PubChem CID56670435
Molecular FormulaC22H32N4O5
Molecular Weight432.52 g/mol
Exact Mass432.24
IUPAC Name2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(3-methoxyphenyl)diazinane-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCCN2C(=O)[C@H](CC2CCCC2)CN(O)C=O)c1
InChIInChI=1S/C22H32N4O5/c1-31-20-10-6-9-19(14-20)23-22(29)26-12-5-4-11-25(26)21(28)18(15-24(30)16-27)13-17-7-2-3-8-17/h6,9-10,14,16-18,30H,2-5,7-8,11-13,15H2,1H3,(H,23,29)/t18-/m1/s1
InChIKeyADDUSXGIWKFTBR-GOSISDBHSA-N
XLogP3.11
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

N-[2-butyl-4-[(3-methoxyphenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide
CID 90694364
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CID 95980216
2-(2-formylpiperidin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 62654790
methyl (2R)-1-[(3-methoxyphenyl)carbamoyl]piperidine-2-carboxylate
CID 115536153
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60582022
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 60642548
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 3872908
3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
CID 25453412
2-(aminomethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63765209
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
CID 3615404

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(3-methoxyphenyl)diazinane-1-carboxamide?
The IUPAC name of 2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(3-methoxyphenyl)diazinane-1-carboxamide (CID 56670435) is 2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(3-methoxyphenyl)diazinane-1-carboxamide.
What is the SMILES notation for 2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(3-methoxyphenyl)diazinane-1-carboxamide?
The canonical SMILES for 2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(3-methoxyphenyl)diazinane-1-carboxamide is COc1cccc(NC(=O)N2CCCCN2C(=O)[C@H](CC2CCCC2)CN(O)C=O)c1.
What is the InChIKey of 2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(3-methoxyphenyl)diazinane-1-carboxamide?
The InChIKey is ADDUSXGIWKFTBR-GOSISDBHSA-N. The full InChI is InChI=1S/C22H32N4O5/c1-31-20-10-6-9-19(14-20)23-22(29)26-12-5-4-11-25(26)21(28)18(15-24(30)16-27)13-17-7-2-3-8-17/h6,9-10,14,16-18,30H,2-5,7-8,11-13,15H2,1H3,(H,23,29)/t18-/m1/s1.
What are the key properties of 2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(3-methoxyphenyl)diazinane-1-carboxamide?
2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(3-methoxyphenyl)diazinane-1-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(3-methoxyphenyl)diazinane-1-carboxamide is sourced from PubChem (CID 56670435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).