3-cyclopentyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]propanamide

C16H21N5O2 — CID 1231769

IUPAC3-cyclopentyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]propanamide
SMILESCOc1cc(NC(=O)CCC2CCCC2)cc(-n2cnnn2)c1
InChIInChI=1S/C16H21N5O2/c1-23-15-9-13(8-14(10-15)21-11-17-19-20-21)18-16(22)7-6-12-4-2-3-5-12/h8-12H,2-7H2,1H3,(H,18,22)
InChIKeyLOLOMNWJVUMOSO-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.58
Rot. Bonds6

About 3-cyclopentyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]propanamide

3-cyclopentyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 1231769) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-cyclopentyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]propanamide
PubChem CID1231769
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name3-cyclopentyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]propanamide
SMILESCOc1cc(NC(=O)CCC2CCCC2)cc(-n2cnnn2)c1
InChIInChI=1S/C16H21N5O2/c1-23-15-9-13(8-14(10-15)21-11-17-19-20-21)18-16(22)7-6-12-4-2-3-5-12/h8-12H,2-7H2,1H3,(H,18,22)
InChIKeyLOLOMNWJVUMOSO-UHFFFAOYSA-N
XLogP2.58
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]propanamide (CID 1231769) is 3-cyclopentyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]propanamide is COc1cc(NC(=O)CCC2CCCC2)cc(-n2cnnn2)c1.
What is the InChIKey of 3-cyclopentyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is LOLOMNWJVUMOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-23-15-9-13(8-14(10-15)21-11-17-19-20-21)18-16(22)7-6-12-4-2-3-5-12/h8-12H,2-7H2,1H3,(H,18,22).
What are the key properties of 3-cyclopentyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]propanamide?
3-cyclopentyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 315.38 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 1231769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).