4-(1-tert-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylbutanamide

C17H31N5O — CID 21295502

IUPAC4-(1-tert-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylbutanamide
SMILESCCN(C(=O)CCCc1nnnn1C(C)(C)C)C1CCCCC1
InChIInChI=1S/C17H31N5O/c1-5-21(14-10-7-6-8-11-14)16(23)13-9-12-15-18-19-20-22(15)17(2,3)4/h14H,5-13H2,1-4H3
InChIKeyMISGKAMQCQTJFC-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.93
Rot. Bonds6

About 4-(1-tert-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylbutanamide

4-(1-tert-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylbutanamide (PubChem CID 21295502) has the molecular formula C17H31N5O and a molecular weight of 321.47 g/mol. Its IUPAC name is 4-(1-tert-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylbutanamide.

Molecular Properties

Compound Name4-(1-tert-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylbutanamide
PubChem CID21295502
Molecular FormulaC17H31N5O
Molecular Weight321.47 g/mol
Exact Mass321.25
IUPAC Name4-(1-tert-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylbutanamide
SMILESCCN(C(=O)CCCc1nnnn1C(C)(C)C)C1CCCCC1
InChIInChI=1S/C17H31N5O/c1-5-21(14-10-7-6-8-11-14)16(23)13-9-12-15-18-19-20-22(15)17(2,3)4/h14H,5-13H2,1-4H3
InChIKeyMISGKAMQCQTJFC-UHFFFAOYSA-N
XLogP2.93
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Tetrazole-1-butanamide, N-cyclohexyl-N-ethyl-5-methyl-
CID 3061972
N,N-diethyl-5-(5-methyltetrazol-1-yl)pentanamide
CID 13103366
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
N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide
CID 13203400
5-(1-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylpentanamide
CID 13203414
4-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(4-methylcyclohexyl)butanamide
CID 21295287
N-tert-butyl-N-methyl-4-(1-methyltetrazol-5-yl)butanamide
CID 21295305
N,N-diethyl-5-(1-ethyltetrazol-5-yl)pentanamide
CID 21295333
N-cyclohexyl-N-methyl-7-(1-methyltetrazol-5-yl)heptanamide
CID 21295443
N-cyclohexyl-4-(1-cyclotridecyltetrazol-5-yl)-N-methylbutanamide
CID 21295449
N,N-dicyclohexyl-4-(1-cyclohexyltetrazol-5-yl)butanamide
CID 21295493

Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylbutanamide?
The IUPAC name of 4-(1-tert-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylbutanamide (CID 21295502) is 4-(1-tert-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylbutanamide.
What is the SMILES notation for 4-(1-tert-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylbutanamide?
The canonical SMILES for 4-(1-tert-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylbutanamide is CCN(C(=O)CCCc1nnnn1C(C)(C)C)C1CCCCC1.
What is the InChIKey of 4-(1-tert-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylbutanamide?
The InChIKey is MISGKAMQCQTJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O/c1-5-21(14-10-7-6-8-11-14)16(23)13-9-12-15-18-19-20-22(15)17(2,3)4/h14H,5-13H2,1-4H3.
What are the key properties of 4-(1-tert-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylbutanamide?
4-(1-tert-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylbutanamide has a molecular weight of 321.47 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylbutanamide is sourced from PubChem (CID 21295502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).