cis-(1S,2R)-2-[[2-[4-(3,5-dimethylphenyl)phenyl]acetyl]amino]-N-hydroxycyclopentane-1-carboxamide

C22H26N2O3 — CID 139969233

IUPACcis-(1S,2R)-2-[[2-[4-(3,5-dimethylphenyl)phenyl]acetyl]amino]-N-hydroxycyclopentane-1-carboxamide
SMILESCc1cc(C)cc(-c2ccc(CC(=O)N[C@@H]3CCC[C@@H]3C(=O)NO)cc2)c1
InChIInChI=1S/C22H26N2O3/c1-14-10-15(2)12-18(11-14)17-8-6-16(7-9-17)13-21(25)23-20-5-3-4-19(20)22(26)24-27/h6-12,19-20,27H,3-5,13H2,1-2H3,(H,23,25)(H,24,26)/t19-,20+/m0/s1
InChIKeyBEZZBOOYPLAKSE-VQTJNVASSA-N
MW366.46 g/mol
LogP3.30
Rot. Bonds5

About cis-(1S,2R)-2-[[2-[4-(3,5-dimethylphenyl)phenyl]acetyl]amino]-N-hydroxycyclopentane-1-carboxamide

cis-(1S,2R)-2-[[2-[4-(3,5-dimethylphenyl)phenyl]acetyl]amino]-N-hydroxycyclopentane-1-carboxamide (PubChem CID 139969233) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[2-[4-(3,5-dimethylphenyl)phenyl]acetyl]amino]-N-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[2-[4-(3,5-dimethylphenyl)phenyl]acetyl]amino]-N-hydroxycyclopentane-1-carboxamide
PubChem CID139969233
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Namecis-(1S,2R)-2-[[2-[4-(3,5-dimethylphenyl)phenyl]acetyl]amino]-N-hydroxycyclopentane-1-carboxamide
SMILESCc1cc(C)cc(-c2ccc(CC(=O)N[C@@H]3CCC[C@@H]3C(=O)NO)cc2)c1
InChIInChI=1S/C22H26N2O3/c1-14-10-15(2)12-18(11-14)17-8-6-16(7-9-17)13-21(25)23-20-5-3-4-19(20)22(26)24-27/h6-12,19-20,27H,3-5,13H2,1-2H3,(H,23,25)(H,24,26)/t19-,20+/m0/s1
InChIKeyBEZZBOOYPLAKSE-VQTJNVASSA-N
XLogP3.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

cis-(1S,2R)-N-hydroxy-2-[[2-[4-(2-methylphenyl)phenyl]acetyl]amino]cyclopentane-1-carboxamide
CID 139969147
N-[2-(hydroxymethyl)cyclopentyl]-2-(4-methylphenyl)acetamide
CID 103751406
N-[(1R,2R)-2-aminocyclohexyl]-2-(4-methylphenyl)acetamide
CID 93451691
2-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812086
2-(4-bromophenyl)-N-(2-carbamothioylcyclopentyl)acetamide
CID 62955197
trans-(1R,2R)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 95363924
cis-(1S,2R)-2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 136583590
2-[3-(4-phenylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 126584625
N-(2-carbamothioylcyclopentyl)-3-(4-methylphenyl)propanamide
CID 62955876
N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-2-(4-phenylphenyl)acetamide
CID 91763160
trans-(1R,2R)-2-[[2-(4-fluorophenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 97161392
2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64817088

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[2-[4-(3,5-dimethylphenyl)phenyl]acetyl]amino]-N-hydroxycyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-[[2-[4-(3,5-dimethylphenyl)phenyl]acetyl]amino]-N-hydroxycyclopentane-1-carboxamide (CID 139969233) is cis-(1S,2R)-2-[[2-[4-(3,5-dimethylphenyl)phenyl]acetyl]amino]-N-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-[[2-[4-(3,5-dimethylphenyl)phenyl]acetyl]amino]-N-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-[[2-[4-(3,5-dimethylphenyl)phenyl]acetyl]amino]-N-hydroxycyclopentane-1-carboxamide is Cc1cc(C)cc(-c2ccc(CC(=O)N[C@@H]3CCC[C@@H]3C(=O)NO)cc2)c1.
What is the InChIKey of cis-(1S,2R)-2-[[2-[4-(3,5-dimethylphenyl)phenyl]acetyl]amino]-N-hydroxycyclopentane-1-carboxamide?
The InChIKey is BEZZBOOYPLAKSE-VQTJNVASSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-14-10-15(2)12-18(11-14)17-8-6-16(7-9-17)13-21(25)23-20-5-3-4-19(20)22(26)24-27/h6-12,19-20,27H,3-5,13H2,1-2H3,(H,23,25)(H,24,26)/t19-,20+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[[2-[4-(3,5-dimethylphenyl)phenyl]acetyl]amino]-N-hydroxycyclopentane-1-carboxamide?
cis-(1S,2R)-2-[[2-[4-(3,5-dimethylphenyl)phenyl]acetyl]amino]-N-hydroxycyclopentane-1-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[2-[4-(3,5-dimethylphenyl)phenyl]acetyl]amino]-N-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 139969233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).