N-[2-(1H-indol-2-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide

C19H27N3O2 — CID 127617774

IUPACN-[2-(1H-indol-2-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide
SMILESCC(C)CC1COCCN1C(=O)NCCc1cc2ccccc2[nH]1
InChIInChI=1S/C19H27N3O2/c1-14(2)11-17-13-24-10-9-22(17)19(23)20-8-7-16-12-15-5-3-4-6-18(15)21-16/h3-6,12,14,17,21H,7-11,13H2,1-2H3,(H,20,23)
InChIKeyFKAJUNRBJJTRGB-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.17
Rot. Bonds5

About N-[2-(1H-indol-2-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide

N-[2-(1H-indol-2-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide (PubChem CID 127617774) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[2-(1H-indol-2-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-2-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide
PubChem CID127617774
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[2-(1H-indol-2-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide
SMILESCC(C)CC1COCCN1C(=O)NCCc1cc2ccccc2[nH]1
InChIInChI=1S/C19H27N3O2/c1-14(2)11-17-13-24-10-9-22(17)19(23)20-8-7-16-12-15-5-3-4-6-18(15)21-16/h3-6,12,14,17,21H,7-11,13H2,1-2H3,(H,20,23)
InChIKeyFKAJUNRBJJTRGB-UHFFFAOYSA-N
XLogP3.17
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 86949500
(3S)-N-[2-(1H-indol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboxamide
CID 124577288
(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide
CID 95904890
(3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 99636601
N-[2-(1H-indol-2-yl)ethyl]acetamide
CID 10465460
N-[2-(1H-indol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 99789227
1-[2-(1H-indol-2-yl)ethyl]-3-propan-2-ylurea
CID 75385727
3-[2-(1H-indol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 122065768
3-(2-methylpropyl)-N-(2-methylsulfinylphenyl)morpholine-4-carboxamide
CID 71865558
N-[4-(2-methylpropanoylamino)phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 56794682
(3S)-3-[(2R)-2-hydroxypropyl]-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide
CID 99855644
(3S)-N-(2-methoxydibenzofuran-3-yl)-3-(2-methylpropyl)morpholine-4-carboxamide
CID 96546401

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-2-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide?
The IUPAC name of N-[2-(1H-indol-2-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide (CID 127617774) is N-[2-(1H-indol-2-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-2-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide?
The canonical SMILES for N-[2-(1H-indol-2-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide is CC(C)CC1COCCN1C(=O)NCCc1cc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-indol-2-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide?
The InChIKey is FKAJUNRBJJTRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(2)11-17-13-24-10-9-22(17)19(23)20-8-7-16-12-15-5-3-4-6-18(15)21-16/h3-6,12,14,17,21H,7-11,13H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(1H-indol-2-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide?
N-[2-(1H-indol-2-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-2-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide is sourced from PubChem (CID 127617774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).