N-(5-chloro-2-methoxyphenyl)-2-[[2-[cyclopenten-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide

C20H28ClN3O3 — CID 8557807

IUPACN-(5-chloro-2-methoxyphenyl)-2-[[2-[cyclopenten-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide
SMILESCCCN(C(=O)CN(C)CC(=O)Nc1cc(Cl)ccc1OC)C1=CCCC1
InChIInChI=1S/C20H28ClN3O3/c1-4-11-24(16-7-5-6-8-16)20(26)14-23(2)13-19(25)22-17-12-15(21)9-10-18(17)27-3/h7,9-10,12H,4-6,8,11,13-14H2,1-3H3,(H,22,25)
InChIKeyAFCYRWKJIAWKCO-UHFFFAOYSA-N
MW393.92 g/mol
LogP3.53
Rot. Bonds9

About N-(5-chloro-2-methoxyphenyl)-2-[[2-[cyclopenten-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[[2-[cyclopenten-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 8557807) has the molecular formula C20H28ClN3O3 and a molecular weight of 393.92 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[[2-[cyclopenten-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[[2-[cyclopenten-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide
PubChem CID8557807
Molecular FormulaC20H28ClN3O3
Molecular Weight393.92 g/mol
Exact Mass393.18
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[[2-[cyclopenten-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide
SMILESCCCN(C(=O)CN(C)CC(=O)Nc1cc(Cl)ccc1OC)C1=CCCC1
InChIInChI=1S/C20H28ClN3O3/c1-4-11-24(16-7-5-6-8-16)20(26)14-23(2)13-19(25)22-17-12-15(21)9-10-18(17)27-3/h7,9-10,12H,4-6,8,11,13-14H2,1-3H3,(H,22,25)
InChIKeyAFCYRWKJIAWKCO-UHFFFAOYSA-N
XLogP3.53
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-methoxyphenyl)-2-[[2-[cyclopenten-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide with MolForge

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Related Compounds

2-[2-aminoethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 62686650
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
2-[[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 8794021
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)acetamide
CID 9222402
N-(5-chloro-2-methoxyphenyl)-2-[[2-(2,6-diethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222409
2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8622078
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61007235
2-[(2-amino-2-methylpropyl)-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 120847420
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 9222495
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide
CID 8794053
N-(5-chloro-2-methoxyphenyl)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 8001433
methyl (2S,3S)-2-[[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-3-methylpentanoate
CID 8794057

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[[2-[cyclopenten-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[[2-[cyclopenten-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide (CID 8557807) is N-(5-chloro-2-methoxyphenyl)-2-[[2-[cyclopenten-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[[2-[cyclopenten-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[[2-[cyclopenten-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide is CCCN(C(=O)CN(C)CC(=O)Nc1cc(Cl)ccc1OC)C1=CCCC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[[2-[cyclopenten-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is AFCYRWKJIAWKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O3/c1-4-11-24(16-7-5-6-8-16)20(26)14-23(2)13-19(25)22-17-12-15(21)9-10-18(17)27-3/h7,9-10,12H,4-6,8,11,13-14H2,1-3H3,(H,22,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[[2-[cyclopenten-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[[2-[cyclopenten-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 393.92 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[[2-[cyclopenten-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 8557807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).