N-(3,4-dimethylcyclohexyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide

C21H31N5O — CID 21295331

IUPACN-(3,4-dimethylcyclohexyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide
SMILESCC1CCC(N(C)C(=O)CCCCc2nnnn2-c2ccccc2)CC1C
InChIInChI=1S/C21H31N5O/c1-16-13-14-19(15-17(16)2)25(3)21(27)12-8-7-11-20-22-23-24-26(20)18-9-5-4-6-10-18/h4-6,9-10,16-17,19H,7-8,11-15H2,1-3H3
InChIKeyYBXINMQXBFPRPT-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.66
Rot. Bonds7

About N-(3,4-dimethylcyclohexyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide

N-(3,4-dimethylcyclohexyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide (PubChem CID 21295331) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide
PubChem CID21295331
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC NameN-(3,4-dimethylcyclohexyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide
SMILESCC1CCC(N(C)C(=O)CCCCc2nnnn2-c2ccccc2)CC1C
InChIInChI=1S/C21H31N5O/c1-16-13-14-19(15-17(16)2)25(3)21(27)12-8-7-11-20-22-23-24-26(20)18-9-5-4-6-10-18/h4-6,9-10,16-17,19H,7-8,11-15H2,1-3H3
InChIKeyYBXINMQXBFPRPT-UHFFFAOYSA-N
XLogP3.66
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide (CID 21295331) is N-(3,4-dimethylcyclohexyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide is CC1CCC(N(C)C(=O)CCCCc2nnnn2-c2ccccc2)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide?
The InChIKey is YBXINMQXBFPRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-16-13-14-19(15-17(16)2)25(3)21(27)12-8-7-11-20-22-23-24-26(20)18-9-5-4-6-10-18/h4-6,9-10,16-17,19H,7-8,11-15H2,1-3H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide?
N-(3,4-dimethylcyclohexyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide has a molecular weight of 369.51 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide is sourced from PubChem (CID 21295331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).