2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide

C20H28N4O3 — CID 18171130

IUPAC2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C20H28N4O3/c1-3-24(13-18(25)22-16-7-9-17(27-2)10-8-16)14-19(26)23-20(15-21)11-5-4-6-12-20/h7-10H,3-6,11-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyKHGXUDBQICHTGD-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.30
Rot. Bonds8

About 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide

2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide (PubChem CID 18171130) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
PubChem CID18171130
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C20H28N4O3/c1-3-24(13-18(25)22-16-7-9-17(27-2)10-8-16)14-19(26)23-20(15-21)11-5-4-6-12-20/h7-10H,3-6,11-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyKHGXUDBQICHTGD-UHFFFAOYSA-N
XLogP2.30
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyanomethyl(ethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 37426429
2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 9030247
N-(1-cyanocyclopentyl)-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]acetamide
CID 95158339
2-[benzyl(ethyl)amino]-N-(1-cyanocyclohexyl)acetamide
CID 18129609
2-(dipropylamino)-N-(4-methoxyphenyl)acetamide
CID 54817180
N-(1-cyanocyclohexyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61026920
N-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide
CID 60516717
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2491478
2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2657158
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 9027460
N-(1-cyanocyclopentyl)-2-(dibenzylamino)acetamide
CID 51170595
2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 2657150

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide (CID 18171130) is 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide is CCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)NC1(C#N)CCCCC1.
What is the InChIKey of 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is KHGXUDBQICHTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-3-24(13-18(25)22-16-7-9-17(27-2)10-8-16)14-19(26)23-20(15-21)11-5-4-6-12-20/h7-10H,3-6,11-14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide?
2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 372.47 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 18171130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).