N-cyclohexyl-4-(1-cyclotridecyltetrazol-5-yl)-N-methylbutanamide

C25H45N5O — CID 21295449

IUPACN-cyclohexyl-4-(1-cyclotridecyltetrazol-5-yl)-N-methylbutanamide
SMILESCN(C(=O)CCCc1nnnn1C1CCCCCCCCCCCC1)C1CCCCC1
InChIInChI=1S/C25H45N5O/c1-29(22-16-13-10-14-17-22)25(31)21-15-20-24-26-27-28-30(24)23-18-11-8-6-4-2-3-5-7-9-12-19-23/h22-23H,2-21H2,1H3
InChIKeyQDPUVJBWVCTZAK-UHFFFAOYSA-N
MW431.67 g/mol
LogP6.02
Rot. Bonds6

About N-cyclohexyl-4-(1-cyclotridecyltetrazol-5-yl)-N-methylbutanamide

N-cyclohexyl-4-(1-cyclotridecyltetrazol-5-yl)-N-methylbutanamide (PubChem CID 21295449) has the molecular formula C25H45N5O and a molecular weight of 431.67 g/mol. Its IUPAC name is N-cyclohexyl-4-(1-cyclotridecyltetrazol-5-yl)-N-methylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(1-cyclotridecyltetrazol-5-yl)-N-methylbutanamide
PubChem CID21295449
Molecular FormulaC25H45N5O
Molecular Weight431.67 g/mol
Exact Mass431.36
IUPAC NameN-cyclohexyl-4-(1-cyclotridecyltetrazol-5-yl)-N-methylbutanamide
SMILESCN(C(=O)CCCc1nnnn1C1CCCCCCCCCCCC1)C1CCCCC1
InChIInChI=1S/C25H45N5O/c1-29(22-16-13-10-14-17-22)25(31)21-15-20-24-26-27-28-30(24)23-18-11-8-6-4-2-3-5-7-9-12-19-23/h22-23H,2-21H2,1H3
InChIKeyQDPUVJBWVCTZAK-UHFFFAOYSA-N
XLogP6.02
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.67
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(1-cyclotridecyltetrazol-5-yl)-N-methylbutanamide?
The IUPAC name of N-cyclohexyl-4-(1-cyclotridecyltetrazol-5-yl)-N-methylbutanamide (CID 21295449) is N-cyclohexyl-4-(1-cyclotridecyltetrazol-5-yl)-N-methylbutanamide.
What is the SMILES notation for N-cyclohexyl-4-(1-cyclotridecyltetrazol-5-yl)-N-methylbutanamide?
The canonical SMILES for N-cyclohexyl-4-(1-cyclotridecyltetrazol-5-yl)-N-methylbutanamide is CN(C(=O)CCCc1nnnn1C1CCCCCCCCCCCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-(1-cyclotridecyltetrazol-5-yl)-N-methylbutanamide?
The InChIKey is QDPUVJBWVCTZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45N5O/c1-29(22-16-13-10-14-17-22)25(31)21-15-20-24-26-27-28-30(24)23-18-11-8-6-4-2-3-5-7-9-12-19-23/h22-23H,2-21H2,1H3.
What are the key properties of N-cyclohexyl-4-(1-cyclotridecyltetrazol-5-yl)-N-methylbutanamide?
N-cyclohexyl-4-(1-cyclotridecyltetrazol-5-yl)-N-methylbutanamide has a molecular weight of 431.67 g/mol, XLogP of 6.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(1-cyclotridecyltetrazol-5-yl)-N-methylbutanamide is sourced from PubChem (CID 21295449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).