N-[(2S)-1-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide

C16H24N2O — CID 138651704

IUPACN-[(2S)-1-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)CN1CCc2cc(C)c(C)cc2C1
InChIInChI=1S/C16H24N2O/c1-11-7-15-5-6-18(9-13(3)17-14(4)19)10-16(15)8-12(11)2/h7-8,13H,5-6,9-10H2,1-4H3,(H,17,19)/t13-/m0/s1
InChIKeyZEZGUVDWOMIBDS-ZDUSSCGKSA-N
MW260.38 g/mol
LogP2.19
Rot. Bonds3

About N-[(2S)-1-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide

N-[(2S)-1-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide (PubChem CID 138651704) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(2S)-1-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide
PubChem CID138651704
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[(2S)-1-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)CN1CCc2cc(C)c(C)cc2C1
InChIInChI=1S/C16H24N2O/c1-11-7-15-5-6-18(9-13(3)17-14(4)19)10-16(15)8-12(11)2/h7-8,13H,5-6,9-10H2,1-4H3,(H,17,19)/t13-/m0/s1
InChIKeyZEZGUVDWOMIBDS-ZDUSSCGKSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-(7,8-dimethyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]acetamide
CID 138652303
2-(hydroxyamino)-N-[(2S)-1-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide
CID 138652155
2-(hydroxyamino)-N-[(2S)-1-(1,3,4,5,7,8,9,10-octahydrobenzo[h][2]benzazepin-2-yl)propan-2-yl]acetamide
CID 138652283
N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217024
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 97112518
(3S)-4-[6-[2-chloro-3-[2-chloro-3-[2-[(2S)-2-hydroxy-4-oxopentyl]-7-methyl-3,4-dihydro-1H-isoquinolin-6-yl]phenyl]phenyl]-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-hydroxybutanoic acid
CID 170203525
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2H-triazole-4-carboxamide
CID 95707705
N-[(2S)-1-(8-tert-butyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]-2-(hydroxyamino)acetamide
CID 138651678
1-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-3-(thiophen-2-ylmethyl)urea
CID 131904680
tert-butyl N-[1-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)propan-2-yl]carbamate
CID 175178834
4-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethynylbutan-1-amine
CID 143182372
6-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 145125206

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide (CID 138651704) is N-[(2S)-1-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide is CC(=O)N[C@@H](C)CN1CCc2cc(C)c(C)cc2C1.
What is the InChIKey of N-[(2S)-1-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide?
The InChIKey is ZEZGUVDWOMIBDS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-7-15-5-6-18(9-13(3)17-14(4)19)10-16(15)8-12(11)2/h7-8,13H,5-6,9-10H2,1-4H3,(H,17,19)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide?
N-[(2S)-1-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide has a molecular weight of 260.38 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide is sourced from PubChem (CID 138651704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).