[4-(ethylcarbamoylamino)cyclohexyl] 2-(6-chloroindol-1-yl)acetate

C19H24ClN3O3 — CID 47591460

IUPAC[4-(ethylcarbamoylamino)cyclohexyl] 2-(6-chloroindol-1-yl)acetate
SMILESCCNC(=O)NC1CCC(OC(=O)Cn2ccc3ccc(Cl)cc32)CC1
InChIInChI=1S/C19H24ClN3O3/c1-2-21-19(25)22-15-5-7-16(8-6-15)26-18(24)12-23-10-9-13-3-4-14(20)11-17(13)23/h3-4,9-11,15-16H,2,5-8,12H2,1H3,(H2,21,22,25)
InChIKeyZKOMFHXWFFXBQB-UHFFFAOYSA-N
MW377.87 g/mol
LogP3.47
Rot. Bonds5

About [4-(ethylcarbamoylamino)cyclohexyl] 2-(6-chloroindol-1-yl)acetate

[4-(ethylcarbamoylamino)cyclohexyl] 2-(6-chloroindol-1-yl)acetate (PubChem CID 47591460) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is [4-(ethylcarbamoylamino)cyclohexyl] 2-(6-chloroindol-1-yl)acetate.

Molecular Properties

Compound Name[4-(ethylcarbamoylamino)cyclohexyl] 2-(6-chloroindol-1-yl)acetate
PubChem CID47591460
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name[4-(ethylcarbamoylamino)cyclohexyl] 2-(6-chloroindol-1-yl)acetate
SMILESCCNC(=O)NC1CCC(OC(=O)Cn2ccc3ccc(Cl)cc32)CC1
InChIInChI=1S/C19H24ClN3O3/c1-2-21-19(25)22-15-5-7-16(8-6-15)26-18(24)12-23-10-9-13-3-4-14(20)11-17(13)23/h3-4,9-11,15-16H,2,5-8,12H2,1H3,(H2,21,22,25)
InChIKeyZKOMFHXWFFXBQB-UHFFFAOYSA-N
XLogP3.47
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloroindol-1-yl)-N-cyclopentylacetamide
CID 39339466
2-(6-chloroindol-1-yl)-N-cyclohexylacetamide
CID 115590568
1-[2-(6-chloroindol-1-yl)acetyl]-N-cyclopropylpiperidine-4-carboxamide
CID 71887294
ethyl 2-[6-[(cyclopropylamino)methyl]indol-1-yl]acetate
CID 102916947
2-(6-chloroindol-1-yl)-1-cyclopentylethanone
CID 104751262
N-cyclopropyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916690
[4-(ethylcarbamoylamino)cyclohexyl] 2,4-difluorobenzoate
CID 47592201
3-[[2-(6-chloroindol-1-yl)acetyl]amino]-N,N-dimethylpropanamide
CID 51091479
(1-carbamoylcyclopropyl)methyl 2-(6-chloroindol-1-yl)acetate
CID 166284057
(2S,4S)-1-[2-(6-chloroindol-1-yl)acetyl]-4-methoxypyrrolidine-2-carboxamide
CID 128983869
2-(6-chloroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide
CID 146630662
2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 39036168

Frequently Asked Questions

What is the IUPAC name of [4-(ethylcarbamoylamino)cyclohexyl] 2-(6-chloroindol-1-yl)acetate?
The IUPAC name of [4-(ethylcarbamoylamino)cyclohexyl] 2-(6-chloroindol-1-yl)acetate (CID 47591460) is [4-(ethylcarbamoylamino)cyclohexyl] 2-(6-chloroindol-1-yl)acetate.
What is the SMILES notation for [4-(ethylcarbamoylamino)cyclohexyl] 2-(6-chloroindol-1-yl)acetate?
The canonical SMILES for [4-(ethylcarbamoylamino)cyclohexyl] 2-(6-chloroindol-1-yl)acetate is CCNC(=O)NC1CCC(OC(=O)Cn2ccc3ccc(Cl)cc32)CC1.
What is the InChIKey of [4-(ethylcarbamoylamino)cyclohexyl] 2-(6-chloroindol-1-yl)acetate?
The InChIKey is ZKOMFHXWFFXBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-2-21-19(25)22-15-5-7-16(8-6-15)26-18(24)12-23-10-9-13-3-4-14(20)11-17(13)23/h3-4,9-11,15-16H,2,5-8,12H2,1H3,(H2,21,22,25).
What are the key properties of [4-(ethylcarbamoylamino)cyclohexyl] 2-(6-chloroindol-1-yl)acetate?
[4-(ethylcarbamoylamino)cyclohexyl] 2-(6-chloroindol-1-yl)acetate has a molecular weight of 377.87 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylcarbamoylamino)cyclohexyl] 2-(6-chloroindol-1-yl)acetate is sourced from PubChem (CID 47591460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).