N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide

C19H27N5O2 — CID 94469376

IUPACN-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccccc1-c1nnn(CC(=O)NCCO[C@H]2CCCC[C@H]2C)n1
InChIInChI=1S/C19H27N5O2/c1-14-7-3-5-9-16(14)19-21-23-24(22-19)13-18(25)20-11-12-26-17-10-6-4-8-15(17)2/h3,5,7,9,15,17H,4,6,8,10-13H2,1-2H3,(H,20,25)/t15-,17+/m1/s1
InChIKeyXNRPWOZERRMSPU-WBVHZDCISA-N
MW357.46 g/mol
LogP2.36
Rot. Bonds7

About N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide

N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 94469376) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID94469376
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccccc1-c1nnn(CC(=O)NCCO[C@H]2CCCC[C@H]2C)n1
InChIInChI=1S/C19H27N5O2/c1-14-7-3-5-9-16(14)19-21-23-24(22-19)13-18(25)20-11-12-26-17-10-6-4-8-15(17)2/h3,5,7,9,15,17H,4,6,8,10-13H2,1-2H3,(H,20,25)/t15-,17+/m1/s1
InChIKeyXNRPWOZERRMSPU-WBVHZDCISA-N
XLogP2.36
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 11899134
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 94122073
N-[2-(4-fluorophenyl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7306317
N-(ethylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634827
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7634930
N-[(2R)-1-methoxypropan-2-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7350175
N-(methylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634824
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7350192
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 24592713
N-[2-(2-methylcyclohexyl)oxyethyl]-2-(5-pyridin-4-ylpyrazol-1-yl)acetamide
CID 71968868
N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 3188669
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 9120378

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (CID 94469376) is N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is Cc1ccccc1-c1nnn(CC(=O)NCCO[C@H]2CCCC[C@H]2C)n1.
What is the InChIKey of N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is XNRPWOZERRMSPU-WBVHZDCISA-N. The full InChI is InChI=1S/C19H27N5O2/c1-14-7-3-5-9-16(14)19-21-23-24(22-19)13-18(25)20-11-12-26-17-10-6-4-8-15(17)2/h3,5,7,9,15,17H,4,6,8,10-13H2,1-2H3,(H,20,25)/t15-,17+/m1/s1.
What are the key properties of N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 357.46 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 94469376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).