cis-(1S,3S)-3-(hydrazinecarbonyl)-2,2,3-trimethyl-N-(4-methylphenyl)cyclopentane-1-carboxamide

C17H25N3O2 — CID 877611

IUPACcis-(1S,3S)-3-(hydrazinecarbonyl)-2,2,3-trimethyl-N-(4-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CC[C@](C)(C(=O)NN)C2(C)C)cc1
InChIInChI=1S/C17H25N3O2/c1-11-5-7-12(8-6-11)19-14(21)13-9-10-17(4,15(22)20-18)16(13,2)3/h5-8,13H,9-10,18H2,1-4H3,(H,19,21)(H,20,22)/t13-,17-/m1/s1
InChIKeyRYMGRESMCKIYDL-CXAGYDPISA-N
MW303.41 g/mol
LogP2.37
Rot. Bonds3

About cis-(1S,3S)-3-(hydrazinecarbonyl)-2,2,3-trimethyl-N-(4-methylphenyl)cyclopentane-1-carboxamide

cis-(1S,3S)-3-(hydrazinecarbonyl)-2,2,3-trimethyl-N-(4-methylphenyl)cyclopentane-1-carboxamide (PubChem CID 877611) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is cis-(1S,3S)-3-(hydrazinecarbonyl)-2,2,3-trimethyl-N-(4-methylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3S)-3-(hydrazinecarbonyl)-2,2,3-trimethyl-N-(4-methylphenyl)cyclopentane-1-carboxamide
PubChem CID877611
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Namecis-(1S,3S)-3-(hydrazinecarbonyl)-2,2,3-trimethyl-N-(4-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CC[C@](C)(C(=O)NN)C2(C)C)cc1
InChIInChI=1S/C17H25N3O2/c1-11-5-7-12(8-6-11)19-14(21)13-9-10-17(4,15(22)20-18)16(13,2)3/h5-8,13H,9-10,18H2,1-4H3,(H,19,21)(H,20,22)/t13-,17-/m1/s1
InChIKeyRYMGRESMCKIYDL-CXAGYDPISA-N
XLogP2.37
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-3-(hydrazinecarbonyl)-2,2,3-trimethyl-N-(4-methylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,3S)-3-(hydrazinecarbonyl)-2,2,3-trimethyl-N-(4-methylphenyl)cyclopentane-1-carboxamide (CID 877611) is cis-(1S,3S)-3-(hydrazinecarbonyl)-2,2,3-trimethyl-N-(4-methylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,3S)-3-(hydrazinecarbonyl)-2,2,3-trimethyl-N-(4-methylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,3S)-3-(hydrazinecarbonyl)-2,2,3-trimethyl-N-(4-methylphenyl)cyclopentane-1-carboxamide is Cc1ccc(NC(=O)[C@H]2CC[C@](C)(C(=O)NN)C2(C)C)cc1.
What is the InChIKey of cis-(1S,3S)-3-(hydrazinecarbonyl)-2,2,3-trimethyl-N-(4-methylphenyl)cyclopentane-1-carboxamide?
The InChIKey is RYMGRESMCKIYDL-CXAGYDPISA-N. The full InChI is InChI=1S/C17H25N3O2/c1-11-5-7-12(8-6-11)19-14(21)13-9-10-17(4,15(22)20-18)16(13,2)3/h5-8,13H,9-10,18H2,1-4H3,(H,19,21)(H,20,22)/t13-,17-/m1/s1.
What are the key properties of cis-(1S,3S)-3-(hydrazinecarbonyl)-2,2,3-trimethyl-N-(4-methylphenyl)cyclopentane-1-carboxamide?
cis-(1S,3S)-3-(hydrazinecarbonyl)-2,2,3-trimethyl-N-(4-methylphenyl)cyclopentane-1-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-3-(hydrazinecarbonyl)-2,2,3-trimethyl-N-(4-methylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 877611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).