(2R)-2-(dimethylamino)-N-isoquinolin-6-yl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide

C23H27N3O2 — CID 146436519

IUPAC(2R)-2-(dimethylamino)-N-isoquinolin-6-yl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide
SMILESCC(C)OCc1ccc([C@H](C(=O)Nc2ccc3cnccc3c2)N(C)C)cc1
InChIInChI=1S/C23H27N3O2/c1-16(2)28-15-17-5-7-18(8-6-17)22(26(3)4)23(27)25-21-10-9-20-14-24-12-11-19(20)13-21/h5-14,16,22H,15H2,1-4H3,(H,25,27)/t22-/m1/s1
InChIKeyNJKKUNHFUMOTKK-JOCHJYFZSA-N
MW377.49 g/mol
LogP4.40
Rot. Bonds7

About (2R)-2-(dimethylamino)-N-isoquinolin-6-yl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide

(2R)-2-(dimethylamino)-N-isoquinolin-6-yl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide (PubChem CID 146436519) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-N-isoquinolin-6-yl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-N-isoquinolin-6-yl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide
PubChem CID146436519
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(2R)-2-(dimethylamino)-N-isoquinolin-6-yl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide
SMILESCC(C)OCc1ccc([C@H](C(=O)Nc2ccc3cnccc3c2)N(C)C)cc1
InChIInChI=1S/C23H27N3O2/c1-16(2)28-15-17-5-7-18(8-6-17)22(26(3)4)23(27)25-21-10-9-20-14-24-12-11-19(20)13-21/h5-14,16,22H,15H2,1-4H3,(H,25,27)/t22-/m1/s1
InChIKeyNJKKUNHFUMOTKK-JOCHJYFZSA-N
XLogP4.40
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(dimethylamino)-N-isoquinolin-6-yl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide with MolForge

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Related Compounds

[3-(isoquinolin-6-ylamino)-3-oxo-2-[4-[tri(propan-2-yl)silyloxymethyl]phenyl]propyl]-methylcarbamic acid
CID 66599745
[4-[(2S)-1-(isoquinolin-6-ylamino)-1-oxobutan-2-yl]phenyl]methyl acetate;methane
CID 159006594
tert-butyl N-[3-(isoquinolin-6-ylamino)-3-oxo-2-[4-[tri(propan-2-yl)silyloxymethyl]phenyl]propyl]-N-methylcarbamate
CID 59563752
(2R)-3-amino-2-[4-(hydroxymethyl)phenyl]-N-isoquinolin-6-ylpropanamide
CID 139553989
2-(N,2-dimethylanilino)-N-isoquinolin-6-yl-2-phenylacetamide;dihydrochloride
CID 89370765
[(2S)-2-[4-(hydroxymethyl)phenyl]-3-(isoquinolin-6-ylamino)-3-oxopropyl] N-tert-butylcarbamate
CID 175545749
3-amino-N-isoquinolin-6-yl-2-(4-phenylmethoxyphenyl)propanamide
CID 127030602
6-[[4-[(2S)-3-amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl]methoxy]-6-oxohexanoic acid
CID 170945767
4-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylbutanamide
CID 59563818
(2R)-2-amino-N-isoquinolin-7-ylpropanamide
CID 143835727
[4-[2-(isoquinolin-6-ylamino)-2-oxoethyl]phenyl]methyl formate
CID 145314427
tert-butyl N-[(2R)-2-(4-hydroxyphenyl)-3-(isoquinolin-6-ylamino)-3-oxopropyl]carbamate
CID 122468504

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-N-isoquinolin-6-yl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide?
The IUPAC name of (2R)-2-(dimethylamino)-N-isoquinolin-6-yl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide (CID 146436519) is (2R)-2-(dimethylamino)-N-isoquinolin-6-yl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide.
What is the SMILES notation for (2R)-2-(dimethylamino)-N-isoquinolin-6-yl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide?
The canonical SMILES for (2R)-2-(dimethylamino)-N-isoquinolin-6-yl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide is CC(C)OCc1ccc([C@H](C(=O)Nc2ccc3cnccc3c2)N(C)C)cc1.
What is the InChIKey of (2R)-2-(dimethylamino)-N-isoquinolin-6-yl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide?
The InChIKey is NJKKUNHFUMOTKK-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16(2)28-15-17-5-7-18(8-6-17)22(26(3)4)23(27)25-21-10-9-20-14-24-12-11-19(20)13-21/h5-14,16,22H,15H2,1-4H3,(H,25,27)/t22-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-N-isoquinolin-6-yl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide?
(2R)-2-(dimethylamino)-N-isoquinolin-6-yl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-N-isoquinolin-6-yl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide is sourced from PubChem (CID 146436519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).