2-(2-cyano-6-methoxyanilino)-N-(3-methylbutyl)acetamide

C15H21N3O2 — CID 107467410

IUPAC2-(2-cyano-6-methoxyanilino)-N-(3-methylbutyl)acetamide
SMILESCOc1cccc(C#N)c1NCC(=O)NCCC(C)C
InChIInChI=1S/C15H21N3O2/c1-11(2)7-8-17-14(19)10-18-15-12(9-16)5-4-6-13(15)20-3/h4-6,11,18H,7-8,10H2,1-3H3,(H,17,19)
InChIKeyPRGLQZAKFPGTSR-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.14
Rot. Bonds7

About 2-(2-cyano-6-methoxyanilino)-N-(3-methylbutyl)acetamide

2-(2-cyano-6-methoxyanilino)-N-(3-methylbutyl)acetamide (PubChem CID 107467410) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(2-cyano-6-methoxyanilino)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-cyano-6-methoxyanilino)-N-(3-methylbutyl)acetamide
PubChem CID107467410
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(2-cyano-6-methoxyanilino)-N-(3-methylbutyl)acetamide
SMILESCOc1cccc(C#N)c1NCC(=O)NCCC(C)C
InChIInChI=1S/C15H21N3O2/c1-11(2)7-8-17-14(19)10-18-15-12(9-16)5-4-6-13(15)20-3/h4-6,11,18H,7-8,10H2,1-3H3,(H,17,19)
InChIKeyPRGLQZAKFPGTSR-UHFFFAOYSA-N
XLogP2.14
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-2-(2-cyano-6-methoxyanilino)acetamide
CID 107467590
2-(2,6-diethylanilino)-N-(3-methylbutyl)acetamide
CID 62327341
2-(2-cyano-6-methoxyanilino)-N-(2-methylpropyl)propanamide
CID 107467514
tert-butyl N-[2-(2-cyano-6-methoxyanilino)propyl]carbamate
CID 107466574
2-amino-3-(2-cyano-6-methoxyanilino)propanamide
CID 107468750
2-(4-cyanoanilino)-N-(3-methylbutyl)acetamide
CID 47117865
2-(5-chloro-2-cyanoanilino)-N-(3-methylbutyl)acetamide
CID 64919197
N-(2-cyano-6-methoxyphenyl)-2-phenylsulfanylacetamide
CID 107467897
N-(2-cyano-6-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 107467761
3-methoxy-2-[2-(2-methoxyethoxy)ethylamino]benzonitrile
CID 107467475
2-(2-hydroxybutylamino)-3-methoxybenzonitrile
CID 107467370
2-[(2-chloro-6-methoxyphenyl)methylamino]-N-(3-methylbutyl)acetamide
CID 103292213

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-6-methoxyanilino)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(2-cyano-6-methoxyanilino)-N-(3-methylbutyl)acetamide (CID 107467410) is 2-(2-cyano-6-methoxyanilino)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(2-cyano-6-methoxyanilino)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(2-cyano-6-methoxyanilino)-N-(3-methylbutyl)acetamide is COc1cccc(C#N)c1NCC(=O)NCCC(C)C.
What is the InChIKey of 2-(2-cyano-6-methoxyanilino)-N-(3-methylbutyl)acetamide?
The InChIKey is PRGLQZAKFPGTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(2)7-8-17-14(19)10-18-15-12(9-16)5-4-6-13(15)20-3/h4-6,11,18H,7-8,10H2,1-3H3,(H,17,19).
What are the key properties of 2-(2-cyano-6-methoxyanilino)-N-(3-methylbutyl)acetamide?
2-(2-cyano-6-methoxyanilino)-N-(3-methylbutyl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-6-methoxyanilino)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 107467410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).