N-cyclohexyl-N-ethyl-4-(1-phenyltetrazol-5-yl)butanamide

C19H27N5O — CID 13208293

IUPACN-cyclohexyl-N-ethyl-4-(1-phenyltetrazol-5-yl)butanamide
SMILESCCN(C(=O)CCCc1nnnn1-c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H27N5O/c1-2-23(16-10-5-3-6-11-16)19(25)15-9-14-18-20-21-22-24(18)17-12-7-4-8-13-17/h4,7-8,12-13,16H,2-3,5-6,9-11,14-15H2,1H3
InChIKeyHJYKXOXJJITSNR-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.17
Rot. Bonds7

About N-cyclohexyl-N-ethyl-4-(1-phenyltetrazol-5-yl)butanamide

N-cyclohexyl-N-ethyl-4-(1-phenyltetrazol-5-yl)butanamide (PubChem CID 13208293) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-4-(1-phenyltetrazol-5-yl)butanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-4-(1-phenyltetrazol-5-yl)butanamide
PubChem CID13208293
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-cyclohexyl-N-ethyl-4-(1-phenyltetrazol-5-yl)butanamide
SMILESCCN(C(=O)CCCc1nnnn1-c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H27N5O/c1-2-23(16-10-5-3-6-11-16)19(25)15-9-14-18-20-21-22-24(18)17-12-7-4-8-13-17/h4,7-8,12-13,16H,2-3,5-6,9-11,14-15H2,1H3
InChIKeyHJYKXOXJJITSNR-UHFFFAOYSA-N
XLogP3.17
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-4-(1-phenyltetrazol-5-yl)butanamide?
The IUPAC name of N-cyclohexyl-N-ethyl-4-(1-phenyltetrazol-5-yl)butanamide (CID 13208293) is N-cyclohexyl-N-ethyl-4-(1-phenyltetrazol-5-yl)butanamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-4-(1-phenyltetrazol-5-yl)butanamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-4-(1-phenyltetrazol-5-yl)butanamide is CCN(C(=O)CCCc1nnnn1-c1ccccc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-4-(1-phenyltetrazol-5-yl)butanamide?
The InChIKey is HJYKXOXJJITSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-2-23(16-10-5-3-6-11-16)19(25)15-9-14-18-20-21-22-24(18)17-12-7-4-8-13-17/h4,7-8,12-13,16H,2-3,5-6,9-11,14-15H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-4-(1-phenyltetrazol-5-yl)butanamide?
N-cyclohexyl-N-ethyl-4-(1-phenyltetrazol-5-yl)butanamide has a molecular weight of 341.46 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-4-(1-phenyltetrazol-5-yl)butanamide is sourced from PubChem (CID 13208293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).