(2S)-2-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)indol-5-yl]propanamide;hydrochloride

C17H23ClN4O3 — CID 119310412

IUPAC(2S)-2-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)indol-5-yl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1.Cl
InChIInChI=1S/C17H22N4O3.ClH/c1-12(18)17(23)19-14-2-3-15-13(10-14)4-5-21(15)11-16(22)20-6-8-24-9-7-20;/h2-5,10,12H,6-9,11,18H2,1H3,(H,19,23);1H/t12-;/m0./s1
InChIKeyYIJOIZWHEPBLKI-YDALLXLXSA-N
MW366.85 g/mol
LogP1.21
Rot. Bonds4

About (2S)-2-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)indol-5-yl]propanamide;hydrochloride

(2S)-2-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)indol-5-yl]propanamide;hydrochloride (PubChem CID 119310412) has the molecular formula C17H23ClN4O3 and a molecular weight of 366.85 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)indol-5-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)indol-5-yl]propanamide;hydrochloride
PubChem CID119310412
Molecular FormulaC17H23ClN4O3
Molecular Weight366.85 g/mol
Exact Mass366.15
IUPAC Name(2S)-2-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)indol-5-yl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1.Cl
InChIInChI=1S/C17H22N4O3.ClH/c1-12(18)17(23)19-14-2-3-15-13(10-14)4-5-21(15)11-16(22)20-6-8-24-9-7-20;/h2-5,10,12H,6-9,11,18H2,1H3,(H,19,23);1H/t12-;/m0./s1
InChIKeyYIJOIZWHEPBLKI-YDALLXLXSA-N
XLogP1.21
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-methyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]butanamide;dihydrochloride
CID 120503366
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CID 119761068
4-hydroxy-N-[1-(2-morpholin-4-yl-2-oxoethyl)indol-5-yl]pyrrolidine-2-carboxamide
CID 119761069
1-(2-morpholin-4-yl-2-oxoethyl)indole-5-carbothioamide
CID 107920546
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
4-(aminomethyl)-N-[1-(2-methylpropyl)indol-5-yl]oxane-4-carboxamide;dihydrochloride
CID 120940199
1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(2-morpholin-4-ylpropyl)urea
CID 56556947
2-[5-[(2-methyl-3-methylsulfanylpropanoyl)amino]indol-1-yl]acetic acid
CID 119235489
N,N-dimethyl-2-[5-[(2-methyl-2-morpholin-4-ylpropyl)carbamoylamino]indol-1-yl]acetamide
CID 56566635
1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(4-phenylbutan-2-yl)urea
CID 56557229
2-amino-2-methyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]pentanamide;dihydrochloride
CID 119864723
N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 52865791

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)indol-5-yl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)indol-5-yl]propanamide;hydrochloride (CID 119310412) is (2S)-2-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)indol-5-yl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)indol-5-yl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)indol-5-yl]propanamide;hydrochloride is C[C@H](N)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)indol-5-yl]propanamide;hydrochloride?
The InChIKey is YIJOIZWHEPBLKI-YDALLXLXSA-N. The full InChI is InChI=1S/C17H22N4O3.ClH/c1-12(18)17(23)19-14-2-3-15-13(10-14)4-5-21(15)11-16(22)20-6-8-24-9-7-20;/h2-5,10,12H,6-9,11,18H2,1H3,(H,19,23);1H/t12-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)indol-5-yl]propanamide;hydrochloride?
(2S)-2-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)indol-5-yl]propanamide;hydrochloride has a molecular weight of 366.85 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)indol-5-yl]propanamide;hydrochloride is sourced from PubChem (CID 119310412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).