cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(2H-tetrazol-5-yloxy)phenyl]cyclohexane-1,2-dicarboxamide

C19H26N6O3 — CID 131921400

IUPACcis-(1S,2R)-2-N-tert-butyl-1-N-[4-(2H-tetrazol-5-yloxy)phenyl]cyclohexane-1,2-dicarboxamide
SMILESCC(C)(C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2nn[nH]n2)cc1
InChIInChI=1S/C19H26N6O3/c1-19(2,3)21-17(27)15-7-5-4-6-14(15)16(26)20-12-8-10-13(11-9-12)28-18-22-24-25-23-18/h8-11,14-15H,4-7H2,1-3H3,(H,20,26)(H,21,27)(H,22,23,24,25)/t14-,15+/m0/s1
InChIKeyOPPKBAKKMSEBQM-LSDHHAIUSA-N
MW386.46 g/mol
LogP2.65
Rot. Bonds5

About cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(2H-tetrazol-5-yloxy)phenyl]cyclohexane-1,2-dicarboxamide

cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(2H-tetrazol-5-yloxy)phenyl]cyclohexane-1,2-dicarboxamide (PubChem CID 131921400) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(2H-tetrazol-5-yloxy)phenyl]cyclohexane-1,2-dicarboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-N-tert-butyl-1-N-[4-(2H-tetrazol-5-yloxy)phenyl]cyclohexane-1,2-dicarboxamide
PubChem CID131921400
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC Namecis-(1S,2R)-2-N-tert-butyl-1-N-[4-(2H-tetrazol-5-yloxy)phenyl]cyclohexane-1,2-dicarboxamide
SMILESCC(C)(C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2nn[nH]n2)cc1
InChIInChI=1S/C19H26N6O3/c1-19(2,3)21-17(27)15-7-5-4-6-14(15)16(26)20-12-8-10-13(11-9-12)28-18-22-24-25-23-18/h8-11,14-15H,4-7H2,1-3H3,(H,20,26)(H,21,27)(H,22,23,24,25)/t14-,15+/m0/s1
InChIKeyOPPKBAKKMSEBQM-LSDHHAIUSA-N
XLogP2.65
TPSA121.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2H-tetrazol-5-yloxy)phenyl]azetidine-2-carboxamide;hydrochloride
CID 154912887
1-(2-ethoxyacetyl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]piperidine-4-carboxamide
CID 131889995
cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclohexane-1,2-dicarboxamide
CID 131920797
N-(4-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 71889282
2-[[4-(4-methylphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 4990951
cis-(1R,2S)-2-[[4-[4-(cyclohexanecarbonylamino)phenoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid;formic acid
CID 177026802
trans-(1S,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 774391
2-[[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 177026753
1-N-tert-butyl-2-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139589
3-(5-methyltetrazol-1-yl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide
CID 131893929
5-acetyl-2,4-dimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-1H-pyrrole-3-carboxamide
CID 131934212
1-N-tert-butyl-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139614

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(2H-tetrazol-5-yloxy)phenyl]cyclohexane-1,2-dicarboxamide?
The IUPAC name of cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(2H-tetrazol-5-yloxy)phenyl]cyclohexane-1,2-dicarboxamide (CID 131921400) is cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(2H-tetrazol-5-yloxy)phenyl]cyclohexane-1,2-dicarboxamide.
What is the SMILES notation for cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(2H-tetrazol-5-yloxy)phenyl]cyclohexane-1,2-dicarboxamide?
The canonical SMILES for cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(2H-tetrazol-5-yloxy)phenyl]cyclohexane-1,2-dicarboxamide is CC(C)(C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2nn[nH]n2)cc1.
What is the InChIKey of cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(2H-tetrazol-5-yloxy)phenyl]cyclohexane-1,2-dicarboxamide?
The InChIKey is OPPKBAKKMSEBQM-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-19(2,3)21-17(27)15-7-5-4-6-14(15)16(26)20-12-8-10-13(11-9-12)28-18-22-24-25-23-18/h8-11,14-15H,4-7H2,1-3H3,(H,20,26)(H,21,27)(H,22,23,24,25)/t14-,15+/m0/s1.
What are the key properties of cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(2H-tetrazol-5-yloxy)phenyl]cyclohexane-1,2-dicarboxamide?
cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(2H-tetrazol-5-yloxy)phenyl]cyclohexane-1,2-dicarboxamide has a molecular weight of 386.46 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(2H-tetrazol-5-yloxy)phenyl]cyclohexane-1,2-dicarboxamide is sourced from PubChem (CID 131921400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).