(3R)-N-[3-(hydroxymethyl)pentan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C16H24N2O2 — CID 62520509

IUPAC(3R)-N-[3-(hydroxymethyl)pentan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCCC(CC)(CO)NC(=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C16H24N2O2/c1-3-16(4-2,11-19)18-15(20)14-9-12-7-5-6-8-13(12)10-17-14/h5-8,14,17,19H,3-4,9-11H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeySFNUBVNUCLYJDH-CQSZACIVSA-N
MW276.38 g/mol
LogP1.37
Rot. Bonds5

About (3R)-N-[3-(hydroxymethyl)pentan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3R)-N-[3-(hydroxymethyl)pentan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 62520509) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (3R)-N-[3-(hydroxymethyl)pentan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-(hydroxymethyl)pentan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID62520509
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(3R)-N-[3-(hydroxymethyl)pentan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCCC(CC)(CO)NC(=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C16H24N2O2/c1-3-16(4-2,11-19)18-15(20)14-9-12-7-5-6-8-13(12)10-17-14/h5-8,14,17,19H,3-4,9-11H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeySFNUBVNUCLYJDH-CQSZACIVSA-N
XLogP1.37
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[3-(hydroxymethyl)pentan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide with MolForge

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Related Compounds

N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 65038594
methyl 2-methyl-2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate
CID 61178603
(3S)-N-(2,2-difluoro-3-hydroxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106176629
(3S)-N-(1-hydroxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896123
(3S)-N-butyliodanuidyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 163941327
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 107852883
N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24699121
N-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 63842151
N-propylsulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103307530
(3R)-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104874033
N-(3-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61464120
(3R)-N',N'-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
CID 83021398

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(hydroxymethyl)pentan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3R)-N-[3-(hydroxymethyl)pentan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 62520509) is (3R)-N-[3-(hydroxymethyl)pentan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N-[3-(hydroxymethyl)pentan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N-[3-(hydroxymethyl)pentan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CCC(CC)(CO)NC(=O)[C@H]1Cc2ccccc2CN1.
What is the InChIKey of (3R)-N-[3-(hydroxymethyl)pentan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is SFNUBVNUCLYJDH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-16(4-2,11-19)18-15(20)14-9-12-7-5-6-8-13(12)10-17-14/h5-8,14,17,19H,3-4,9-11H2,1-2H3,(H,18,20)/t14-/m1/s1.
What are the key properties of (3R)-N-[3-(hydroxymethyl)pentan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3R)-N-[3-(hydroxymethyl)pentan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-(hydroxymethyl)pentan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 62520509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).