5-acetamido-N-(cyclopentylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C18H25N3O2 — CID 47065964

IUPAC5-acetamido-N-(cyclopentylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC(=O)Nc1cccc2c1CCN(C(=O)NCC1CCCC1)C2
InChIInChI=1S/C18H25N3O2/c1-13(22)20-17-8-4-7-15-12-21(10-9-16(15)17)18(23)19-11-14-5-2-3-6-14/h4,7-8,14H,2-3,5-6,9-12H2,1H3,(H,19,23)(H,20,22)
InChIKeyVFIQASKTZXFLKW-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.90
Rot. Bonds3

About 5-acetamido-N-(cyclopentylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

5-acetamido-N-(cyclopentylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 47065964) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-acetamido-N-(cyclopentylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-(cyclopentylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID47065964
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name5-acetamido-N-(cyclopentylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC(=O)Nc1cccc2c1CCN(C(=O)NCC1CCCC1)C2
InChIInChI=1S/C18H25N3O2/c1-13(22)20-17-8-4-7-15-12-21(10-9-16(15)17)18(23)19-11-14-5-2-3-6-14/h4,7-8,14H,2-3,5-6,9-12H2,1H3,(H,19,23)(H,20,22)
InChIKeyVFIQASKTZXFLKW-UHFFFAOYSA-N
XLogP2.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-(cyclopentylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 5-acetamido-N-(cyclopentylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 47065964) is 5-acetamido-N-(cyclopentylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-(cyclopentylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 5-acetamido-N-(cyclopentylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is CC(=O)Nc1cccc2c1CCN(C(=O)NCC1CCCC1)C2.
What is the InChIKey of 5-acetamido-N-(cyclopentylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is VFIQASKTZXFLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(22)20-17-8-4-7-15-12-21(10-9-16(15)17)18(23)19-11-14-5-2-3-6-14/h4,7-8,14H,2-3,5-6,9-12H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 5-acetamido-N-(cyclopentylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
5-acetamido-N-(cyclopentylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-(cyclopentylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 47065964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).