N-tert-butyl-2-[(7-methoxyisoquinolin-1-yl)amino]acetamide

C16H21N3O2 — CID 106539212

IUPACN-tert-butyl-2-[(7-methoxyisoquinolin-1-yl)amino]acetamide
SMILESCOc1ccc2ccnc(NCC(=O)NC(C)(C)C)c2c1
InChIInChI=1S/C16H21N3O2/c1-16(2,3)19-14(20)10-18-15-13-9-12(21-4)6-5-11(13)7-8-17-15/h5-9H,10H2,1-4H3,(H,17,18)(H,19,20)
InChIKeySBTCTXMCUNZKHZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.57
Rot. Bonds4

About N-tert-butyl-2-[(7-methoxyisoquinolin-1-yl)amino]acetamide

N-tert-butyl-2-[(7-methoxyisoquinolin-1-yl)amino]acetamide (PubChem CID 106539212) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-tert-butyl-2-[(7-methoxyisoquinolin-1-yl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(7-methoxyisoquinolin-1-yl)amino]acetamide
PubChem CID106539212
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-tert-butyl-2-[(7-methoxyisoquinolin-1-yl)amino]acetamide
SMILESCOc1ccc2ccnc(NCC(=O)NC(C)(C)C)c2c1
InChIInChI=1S/C16H21N3O2/c1-16(2,3)19-14(20)10-18-15-13-9-12(21-4)6-5-11(13)7-8-17-15/h5-9H,10H2,1-4H3,(H,17,18)(H,19,20)
InChIKeySBTCTXMCUNZKHZ-UHFFFAOYSA-N
XLogP2.57
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate
CID 106537314
N-(2-chloroprop-2-enyl)-7-methoxyisoquinolin-1-amine
CID 106539492
2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]-2-methylbutanoic acid
CID 106536428
2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]-3-methylbutanoic acid
CID 106536242
2-[(6-methoxyisoquinolin-1-yl)amino]-N-propylacetamide
CID 106537629
2-[(7-methoxyisoquinolin-1-yl)amino]-2-methylpentanoic acid
CID 106535969
7-methoxy-N-(3-methylpentan-3-yl)isoquinolin-1-amine
CID 106329434
N-tert-butyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]acetamide
CID 115356996
N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine
CID 106538802
7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine
CID 106537423
7-methoxy-N-(2-methylsulfinylpropyl)isoquinolin-1-amine
CID 106539651
N-(7-methoxyisoquinolin-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 106537368

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(7-methoxyisoquinolin-1-yl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(7-methoxyisoquinolin-1-yl)amino]acetamide (CID 106539212) is N-tert-butyl-2-[(7-methoxyisoquinolin-1-yl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(7-methoxyisoquinolin-1-yl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(7-methoxyisoquinolin-1-yl)amino]acetamide is COc1ccc2ccnc(NCC(=O)NC(C)(C)C)c2c1.
What is the InChIKey of N-tert-butyl-2-[(7-methoxyisoquinolin-1-yl)amino]acetamide?
The InChIKey is SBTCTXMCUNZKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(2,3)19-14(20)10-18-15-13-9-12(21-4)6-5-11(13)7-8-17-15/h5-9H,10H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of N-tert-butyl-2-[(7-methoxyisoquinolin-1-yl)amino]acetamide?
N-tert-butyl-2-[(7-methoxyisoquinolin-1-yl)amino]acetamide has a molecular weight of 287.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(7-methoxyisoquinolin-1-yl)amino]acetamide is sourced from PubChem (CID 106539212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).