4-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(4-methylcyclohexyl)butanamide

C20H35N5O — CID 21295287

IUPAC4-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(4-methylcyclohexyl)butanamide
SMILESCCN(C(=O)CCCc1nnnn1C1CCCCC1)C1CCC(C)CC1
InChIInChI=1S/C20H35N5O/c1-3-24(17-14-12-16(2)13-15-17)20(26)11-7-10-19-21-22-23-25(19)18-8-5-4-6-9-18/h16-18H,3-15H2,1-2H3
InChIKeyVOCFLGMLQASGRS-UHFFFAOYSA-N
MW361.53 g/mol
LogP3.93
Rot. Bonds7

About 4-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(4-methylcyclohexyl)butanamide

4-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(4-methylcyclohexyl)butanamide (PubChem CID 21295287) has the molecular formula C20H35N5O and a molecular weight of 361.53 g/mol. Its IUPAC name is 4-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(4-methylcyclohexyl)butanamide.

Molecular Properties

Compound Name4-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(4-methylcyclohexyl)butanamide
PubChem CID21295287
Molecular FormulaC20H35N5O
Molecular Weight361.53 g/mol
Exact Mass361.28
IUPAC Name4-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(4-methylcyclohexyl)butanamide
SMILESCCN(C(=O)CCCc1nnnn1C1CCCCC1)C1CCC(C)CC1
InChIInChI=1S/C20H35N5O/c1-3-24(17-14-12-16(2)13-15-17)20(26)11-7-10-19-21-22-23-25(19)18-8-5-4-6-9-18/h16-18H,3-15H2,1-2H3
InChIKeyVOCFLGMLQASGRS-UHFFFAOYSA-N
XLogP3.93
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Tetrazole-5-pentanamide, 1-cyclohexyl-N,N-diethyl-
CID 3062259
5-(1-Butyltetrazol-5-yl)-1-(cyclohexylmethyl)-5-methylpyrrolidin-2-one
CID 53300808
N-ethyl-N-cyclohexyl-5-(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)valeramide
CID 13203397
5-(1-cyclohexyltetrazol-5-yl)-N,N-diethylpentanamide
CID 13203398
5-(1-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylpentanamide
CID 13203414
N-cyclohexyl-N-methyl-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]pentanamide
CID 21295276
N-cyclohexyl-5-(1-cyclohexyltetrazol-5-yl)-N-(piperidin-4-ylmethyl)pentanamide
CID 21295315
N-(cyclohexylmethyl)-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide
CID 21295396
N-cyclohexyl-4-(1-cyclotridecyltetrazol-5-yl)-N-methylbutanamide
CID 21295449
N,N-dicyclohexyl-4-(1-cyclohexyltetrazol-5-yl)butanamide
CID 21295493
N-cyclohexyl-5-[1-[4-(dimethylamino)cyclohexyl]tetrazol-5-yl]-N-methylpentanamide
CID 21295498
4-(1-tert-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylbutanamide
CID 21295502

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(4-methylcyclohexyl)butanamide?
The IUPAC name of 4-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(4-methylcyclohexyl)butanamide (CID 21295287) is 4-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(4-methylcyclohexyl)butanamide.
What is the SMILES notation for 4-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(4-methylcyclohexyl)butanamide?
The canonical SMILES for 4-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(4-methylcyclohexyl)butanamide is CCN(C(=O)CCCc1nnnn1C1CCCCC1)C1CCC(C)CC1.
What is the InChIKey of 4-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(4-methylcyclohexyl)butanamide?
The InChIKey is VOCFLGMLQASGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O/c1-3-24(17-14-12-16(2)13-15-17)20(26)11-7-10-19-21-22-23-25(19)18-8-5-4-6-9-18/h16-18H,3-15H2,1-2H3.
What are the key properties of 4-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(4-methylcyclohexyl)butanamide?
4-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(4-methylcyclohexyl)butanamide has a molecular weight of 361.53 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(4-methylcyclohexyl)butanamide is sourced from PubChem (CID 21295287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).