N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-ethylindole-2-carboxamide

C18H24N2O3 — CID 111662958

IUPACN-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-ethylindole-2-carboxamide
SMILESCCn1c(C(=O)NCC(O)COCC2CC2)cc2ccccc21
InChIInChI=1S/C18H24N2O3/c1-2-20-16-6-4-3-5-14(16)9-17(20)18(22)19-10-15(21)12-23-11-13-7-8-13/h3-6,9,13,15,21H,2,7-8,10-12H2,1H3,(H,19,22)
InChIKeyFIJBHJXHCTWKSW-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.18
Rot. Bonds8

About N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-ethylindole-2-carboxamide

N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-ethylindole-2-carboxamide (PubChem CID 111662958) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-ethylindole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-ethylindole-2-carboxamide
PubChem CID111662958
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-ethylindole-2-carboxamide
SMILESCCn1c(C(=O)NCC(O)COCC2CC2)cc2ccccc21
InChIInChI=1S/C18H24N2O3/c1-2-20-16-6-4-3-5-14(16)9-17(20)18(22)19-10-15(21)12-23-11-13-7-8-13/h3-6,9,13,15,21H,2,7-8,10-12H2,1H3,(H,19,22)
InChIKeyFIJBHJXHCTWKSW-UHFFFAOYSA-N
XLogP2.18
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]indole-2-carboxamide
CID 52522890
1-cyclopropyl-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 110007618
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide
CID 111697762
1-(cyclopropylmethyl)-N-[(3R)-3-hydroxypentyl]indole-2-carboxamide
CID 124851434
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-pyrazol-1-ylbenzamide
CID 111663006
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide
CID 111662905
1-ethylindole-2-carbohydrazide
CID 166595239
1-ethyl-N-prop-2-ynylindole-2-carboxamide
CID 47335095
1-ethyl-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]indole-2-carboxamide
CID 75444716
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-phenylpyrazole-3-carboxamide
CID 111662871
3,5-dichloro-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]benzamide
CID 111662976
1-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]indole-2-carboxamide
CID 60550859

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-ethylindole-2-carboxamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-ethylindole-2-carboxamide (CID 111662958) is N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-ethylindole-2-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-ethylindole-2-carboxamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-ethylindole-2-carboxamide is CCn1c(C(=O)NCC(O)COCC2CC2)cc2ccccc21.
What is the InChIKey of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-ethylindole-2-carboxamide?
The InChIKey is FIJBHJXHCTWKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-2-20-16-6-4-3-5-14(16)9-17(20)18(22)19-10-15(21)12-23-11-13-7-8-13/h3-6,9,13,15,21H,2,7-8,10-12H2,1H3,(H,19,22).
What are the key properties of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-ethylindole-2-carboxamide?
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-ethylindole-2-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-ethylindole-2-carboxamide is sourced from PubChem (CID 111662958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).