N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

C17H20N2O2 — CID 35684027

IUPACN-[(2S)-1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESC[C@@H](Cc1ccco1)NC(=O)N1CCc2ccccc2C1
InChIInChI=1S/C17H20N2O2/c1-13(11-16-7-4-10-21-16)18-17(20)19-9-8-14-5-2-3-6-15(14)12-19/h2-7,10,13H,8-9,11-12H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeySWAODTWALQYIGM-ZDUSSCGKSA-N
MW284.36 g/mol
LogP2.98
Rot. Bonds3

About N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 35684027) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID35684027
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[(2S)-1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESC[C@@H](Cc1ccco1)NC(=O)N1CCc2ccccc2C1
InChIInChI=1S/C17H20N2O2/c1-13(11-16-7-4-10-21-16)18-17(20)19-9-8-14-5-2-3-6-15(14)12-19/h2-7,10,13H,8-9,11-12H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeySWAODTWALQYIGM-ZDUSSCGKSA-N
XLogP2.98
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 16645751
N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 94031247
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-ylmethylamino)propan-1-one
CID 655966
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-ylmethylamino)propan-1-one
CID 1439849
N-(5-methylhexan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 78833930
2-[1-[1-(furan-2-yl)propan-2-ylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116683044
N-(1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 3722367
(2R)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-phenylpyrrolidine-1-carboxamide
CID 96554428
3-acetamido-N-[1-(furan-2-yl)propan-2-yl]piperidine-1-carboxamide
CID 71893038
(3R)-3-acetamido-N-[(2S)-1-(furan-2-yl)propan-2-yl]piperidine-1-carboxamide
CID 97087871
3-ethyl-1-[1-(furan-2-yl)propan-2-ylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63147179
3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonylamino)butanoic acid
CID 63153924

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 35684027) is N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is C[C@@H](Cc1ccco1)NC(=O)N1CCc2ccccc2C1.
What is the InChIKey of N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is SWAODTWALQYIGM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13(11-16-7-4-10-21-16)18-17(20)19-9-8-14-5-2-3-6-15(14)12-19/h2-7,10,13H,8-9,11-12H2,1H3,(H,18,20)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 35684027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).