N-[4-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide

C23H25N3O4 — CID 4782860

IUPACN-[4-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(OCC(=O)NC2(C#N)CCCCC2)cc1
InChIInChI=1S/C23H25N3O4/c1-29-20-8-4-3-7-19(20)22(28)25-17-9-11-18(12-10-17)30-15-21(27)26-23(16-24)13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,25,28)(H,26,27)
InChIKeyNYFUOKQPSUWIME-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.67
Rot. Bonds7

About N-[4-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide

N-[4-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide (PubChem CID 4782860) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[4-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide
PubChem CID4782860
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-[4-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(OCC(=O)NC2(C#N)CCCCC2)cc1
InChIInChI=1S/C23H25N3O4/c1-29-20-8-4-3-7-19(20)22(28)25-17-9-11-18(12-10-17)30-15-21(27)26-23(16-24)13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,25,28)(H,26,27)
InChIKeyNYFUOKQPSUWIME-UHFFFAOYSA-N
XLogP3.67
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide (CID 4782860) is N-[4-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(OCC(=O)NC2(C#N)CCCCC2)cc1.
What is the InChIKey of N-[4-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide?
The InChIKey is NYFUOKQPSUWIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-29-20-8-4-3-7-19(20)22(28)25-17-9-11-18(12-10-17)30-15-21(27)26-23(16-24)13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[4-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide?
N-[4-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide has a molecular weight of 407.47 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 4782860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).