N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-ethylbutanamide

C13H23N5O — CID 30295267

IUPACN-[(1-cyclopentyltetrazol-5-yl)methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1nnnn1C1CCCC1
InChIInChI=1S/C13H23N5O/c1-3-10(4-2)13(19)14-9-12-15-16-17-18(12)11-7-5-6-8-11/h10-11H,3-9H2,1-2H3,(H,14,19)
InChIKeyDVBLAPQRPNVDPZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.84
Rot. Bonds6

About N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-ethylbutanamide

N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-ethylbutanamide (PubChem CID 30295267) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[(1-cyclopentyltetrazol-5-yl)methyl]-2-ethylbutanamide
PubChem CID30295267
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-[(1-cyclopentyltetrazol-5-yl)methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1nnnn1C1CCCC1
InChIInChI=1S/C13H23N5O/c1-3-10(4-2)13(19)14-9-12-15-16-17-18(12)11-7-5-6-8-11/h10-11H,3-9H2,1-2H3,(H,14,19)
InChIKeyDVBLAPQRPNVDPZ-UHFFFAOYSA-N
XLogP1.84
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-ethylbutanamide?
The IUPAC name of N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-ethylbutanamide (CID 30295267) is N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-ethylbutanamide.
What is the SMILES notation for N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-ethylbutanamide?
The canonical SMILES for N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-ethylbutanamide is CCC(CC)C(=O)NCc1nnnn1C1CCCC1.
What is the InChIKey of N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-ethylbutanamide?
The InChIKey is DVBLAPQRPNVDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-3-10(4-2)13(19)14-9-12-15-16-17-18(12)11-7-5-6-8-11/h10-11H,3-9H2,1-2H3,(H,14,19).
What are the key properties of N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-ethylbutanamide?
N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-ethylbutanamide has a molecular weight of 265.36 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-ethylbutanamide is sourced from PubChem (CID 30295267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).