N-cyclohexyl-N-(2-hydroxyethyl)-4-(5-methyltetrazol-1-yl)butanamide

C14H25N5O2 — CID 13103349

IUPACN-cyclohexyl-N-(2-hydroxyethyl)-4-(5-methyltetrazol-1-yl)butanamide
SMILESCc1nnnn1CCCC(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C14H25N5O2/c1-12-15-16-17-19(12)9-5-8-14(21)18(10-11-20)13-6-3-2-4-7-13/h13,20H,2-11H2,1H3
InChIKeyQCOLCOQAHTVAJO-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.92
Rot. Bonds7

About N-cyclohexyl-N-(2-hydroxyethyl)-4-(5-methyltetrazol-1-yl)butanamide

N-cyclohexyl-N-(2-hydroxyethyl)-4-(5-methyltetrazol-1-yl)butanamide (PubChem CID 13103349) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-cyclohexyl-N-(2-hydroxyethyl)-4-(5-methyltetrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2-hydroxyethyl)-4-(5-methyltetrazol-1-yl)butanamide
PubChem CID13103349
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC NameN-cyclohexyl-N-(2-hydroxyethyl)-4-(5-methyltetrazol-1-yl)butanamide
SMILESCc1nnnn1CCCC(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C14H25N5O2/c1-12-15-16-17-19(12)9-5-8-14(21)18(10-11-20)13-6-3-2-4-7-13/h13,20H,2-11H2,1H3
InChIKeyQCOLCOQAHTVAJO-UHFFFAOYSA-N
XLogP0.92
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2-hydroxyethyl)-4-(5-methyltetrazol-1-yl)butanamide?
The IUPAC name of N-cyclohexyl-N-(2-hydroxyethyl)-4-(5-methyltetrazol-1-yl)butanamide (CID 13103349) is N-cyclohexyl-N-(2-hydroxyethyl)-4-(5-methyltetrazol-1-yl)butanamide.
What is the SMILES notation for N-cyclohexyl-N-(2-hydroxyethyl)-4-(5-methyltetrazol-1-yl)butanamide?
The canonical SMILES for N-cyclohexyl-N-(2-hydroxyethyl)-4-(5-methyltetrazol-1-yl)butanamide is Cc1nnnn1CCCC(=O)N(CCO)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(2-hydroxyethyl)-4-(5-methyltetrazol-1-yl)butanamide?
The InChIKey is QCOLCOQAHTVAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-12-15-16-17-19(12)9-5-8-14(21)18(10-11-20)13-6-3-2-4-7-13/h13,20H,2-11H2,1H3.
What are the key properties of N-cyclohexyl-N-(2-hydroxyethyl)-4-(5-methyltetrazol-1-yl)butanamide?
N-cyclohexyl-N-(2-hydroxyethyl)-4-(5-methyltetrazol-1-yl)butanamide has a molecular weight of 295.39 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2-hydroxyethyl)-4-(5-methyltetrazol-1-yl)butanamide is sourced from PubChem (CID 13103349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).