N-[(1S)-1-[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethyl]acetamide

C19H22N2O — CID 95556788

IUPACN-[(1S)-1-[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(-c2cccc3c2CCNC3)cc1
InChIInChI=1S/C19H22N2O/c1-13(21-14(2)22)15-6-8-16(9-7-15)18-5-3-4-17-12-20-11-10-19(17)18/h3-9,13,20H,10-12H2,1-2H3,(H,21,22)/t13-/m0/s1
InChIKeyONPWSZWSQJVCIW-ZDUSSCGKSA-N
MW294.40 g/mol
LogP3.20
Rot. Bonds3

About N-[(1S)-1-[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethyl]acetamide

N-[(1S)-1-[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethyl]acetamide (PubChem CID 95556788) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[(1S)-1-[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethyl]acetamide
PubChem CID95556788
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-[(1S)-1-[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(-c2cccc3c2CCNC3)cc1
InChIInChI=1S/C19H22N2O/c1-13(21-14(2)22)15-6-8-16(9-7-15)18-5-3-4-17-12-20-11-10-19(17)18/h3-9,13,20H,10-12H2,1-2H3,(H,21,22)/t13-/m0/s1
InChIKeyONPWSZWSQJVCIW-ZDUSSCGKSA-N
XLogP3.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethanone
CID 56875605
(2R)-2-[3-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenoxy]propanamide
CID 95554001
N-[(1R)-1-[4-(2-propan-2-yloxyphenyl)phenyl]ethyl]acetamide
CID 126444251
N-[(1S)-1-[4-(2-propan-2-yloxyphenyl)phenyl]ethyl]acetamide
CID 126444250
N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 115104862
5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
CID 56863104
2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 56875194
N-[(1S)-1-[4-(3-propan-2-yloxyphenyl)phenyl]ethyl]acetamide
CID 126448959
N-[[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]methyl]cyclopropanamine
CID 56864418
N-[1-(furan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558050
N-pent-4-yn-2-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113477489
5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 56866430

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethyl]acetamide (CID 95556788) is N-[(1S)-1-[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethyl]acetamide is CC(=O)N[C@@H](C)c1ccc(-c2cccc3c2CCNC3)cc1.
What is the InChIKey of N-[(1S)-1-[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethyl]acetamide?
The InChIKey is ONPWSZWSQJVCIW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N2O/c1-13(21-14(2)22)15-6-8-16(9-7-15)18-5-3-4-17-12-20-11-10-19(17)18/h3-9,13,20H,10-12H2,1-2H3,(H,21,22)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethyl]acetamide?
N-[(1S)-1-[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethyl]acetamide has a molecular weight of 294.40 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 95556788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).