(2S)-2-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride

C20H24ClN3O — CID 119322305

IUPAC(2S)-2-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride
SMILESCc1cccc2c(CCNC(=O)[C@@H](N)Cc3ccccc3)c[nH]c12.Cl
InChIInChI=1S/C20H23N3O.ClH/c1-14-6-5-9-17-16(13-23-19(14)17)10-11-22-20(24)18(21)12-15-7-3-2-4-8-15;/h2-9,13,18,23H,10-12,21H2,1H3,(H,22,24);1H/t18-;/m0./s1
InChIKeyMQSVQIGCXJITSB-FERBBOLQSA-N
MW357.89 g/mol
LogP3.13
Rot. Bonds6

About (2S)-2-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride

(2S)-2-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119322305) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride
PubChem CID119322305
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name(2S)-2-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride
SMILESCc1cccc2c(CCNC(=O)[C@@H](N)Cc3ccccc3)c[nH]c12.Cl
InChIInChI=1S/C20H23N3O.ClH/c1-14-6-5-9-17-16(13-23-19(14)17)10-11-22-20(24)18(21)12-15-7-3-2-4-8-15;/h2-9,13,18,23H,10-12,21H2,1H3,(H,22,24);1H/t18-;/m0./s1
InChIKeyMQSVQIGCXJITSB-FERBBOLQSA-N
XLogP3.13
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide
CID 119951412
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 119956073
5-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]furan-2-carboxylic acid
CID 167925600
1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-[3-[(S)-methylsulfinyl]propyl]urea
CID 97318805
4-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoylamino]butanoic acid
CID 122003467
7-methyl-3-(2-phenylethyl)-1H-indole
CID 174735389
7-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]heptanamide;hydrochloride
CID 119781315
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119326873
1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
CID 111507161
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312
(2R)-2-amino-3-naphthalen-1-yl-N-(2-phenylethyl)propanamide
CID 70832631

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride (CID 119322305) is (2S)-2-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride is Cc1cccc2c(CCNC(=O)[C@@H](N)Cc3ccccc3)c[nH]c12.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is MQSVQIGCXJITSB-FERBBOLQSA-N. The full InChI is InChI=1S/C20H23N3O.ClH/c1-14-6-5-9-17-16(13-23-19(14)17)10-11-22-20(24)18(21)12-15-7-3-2-4-8-15;/h2-9,13,18,23H,10-12,21H2,1H3,(H,22,24);1H/t18-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 357.89 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119322305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).