N,N-dicyclohexyl-4-(1-cyclohexyltetrazol-5-yl)butanamide

C23H39N5O — CID 21295493

IUPACN,N-dicyclohexyl-4-(1-cyclohexyltetrazol-5-yl)butanamide
SMILESO=C(CCCc1nnnn1C1CCCCC1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H39N5O/c29-23(27(19-11-4-1-5-12-19)20-13-6-2-7-14-20)18-10-17-22-24-25-26-28(22)21-15-8-3-9-16-21/h19-21H,1-18H2
InChIKeyOWKYBAIWJOOXPJ-UHFFFAOYSA-N
MW401.60 g/mol
LogP4.99
Rot. Bonds7

About N,N-dicyclohexyl-4-(1-cyclohexyltetrazol-5-yl)butanamide

N,N-dicyclohexyl-4-(1-cyclohexyltetrazol-5-yl)butanamide (PubChem CID 21295493) has the molecular formula C23H39N5O and a molecular weight of 401.60 g/mol. Its IUPAC name is N,N-dicyclohexyl-4-(1-cyclohexyltetrazol-5-yl)butanamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-4-(1-cyclohexyltetrazol-5-yl)butanamide
PubChem CID21295493
Molecular FormulaC23H39N5O
Molecular Weight401.60 g/mol
Exact Mass401.32
IUPAC NameN,N-dicyclohexyl-4-(1-cyclohexyltetrazol-5-yl)butanamide
SMILESO=C(CCCc1nnnn1C1CCCCC1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H39N5O/c29-23(27(19-11-4-1-5-12-19)20-13-6-2-7-14-20)18-10-17-22-24-25-26-28(22)21-15-8-3-9-16-21/h19-21H,1-18H2
InChIKeyOWKYBAIWJOOXPJ-UHFFFAOYSA-N
XLogP4.99
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.60
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-4-(1-cyclohexyltetrazol-5-yl)butanamide?
The IUPAC name of N,N-dicyclohexyl-4-(1-cyclohexyltetrazol-5-yl)butanamide (CID 21295493) is N,N-dicyclohexyl-4-(1-cyclohexyltetrazol-5-yl)butanamide.
What is the SMILES notation for N,N-dicyclohexyl-4-(1-cyclohexyltetrazol-5-yl)butanamide?
The canonical SMILES for N,N-dicyclohexyl-4-(1-cyclohexyltetrazol-5-yl)butanamide is O=C(CCCc1nnnn1C1CCCCC1)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-4-(1-cyclohexyltetrazol-5-yl)butanamide?
The InChIKey is OWKYBAIWJOOXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5O/c29-23(27(19-11-4-1-5-12-19)20-13-6-2-7-14-20)18-10-17-22-24-25-26-28(22)21-15-8-3-9-16-21/h19-21H,1-18H2.
What are the key properties of N,N-dicyclohexyl-4-(1-cyclohexyltetrazol-5-yl)butanamide?
N,N-dicyclohexyl-4-(1-cyclohexyltetrazol-5-yl)butanamide has a molecular weight of 401.60 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-4-(1-cyclohexyltetrazol-5-yl)butanamide is sourced from PubChem (CID 21295493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).