(2S)-2-amino-N-(3-ethylcyclohexyl)-3-(1H-indol-3-yl)propanamide;hydrochloride

C19H28ClN3O — CID 119957507

IUPAC(2S)-2-amino-N-(3-ethylcyclohexyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
SMILESCCC1CCCC(NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C1.Cl
InChIInChI=1S/C19H27N3O.ClH/c1-2-13-6-5-7-15(10-13)22-19(23)17(20)11-14-12-21-18-9-4-3-8-16(14)18;/h3-4,8-9,12-13,15,17,21H,2,5-7,10-11,20H2,1H3,(H,22,23);1H/t13?,15?,17-;/m0./s1
InChIKeyQYICYMAQLRPJMO-ILUFHWEDSA-N
MW349.91 g/mol
LogP3.54
Rot. Bonds5

About (2S)-2-amino-N-(3-ethylcyclohexyl)-3-(1H-indol-3-yl)propanamide;hydrochloride

(2S)-2-amino-N-(3-ethylcyclohexyl)-3-(1H-indol-3-yl)propanamide;hydrochloride (PubChem CID 119957507) has the molecular formula C19H28ClN3O and a molecular weight of 349.91 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-ethylcyclohexyl)-3-(1H-indol-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-ethylcyclohexyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
PubChem CID119957507
Molecular FormulaC19H28ClN3O
Molecular Weight349.91 g/mol
Exact Mass349.19
IUPAC Name(2S)-2-amino-N-(3-ethylcyclohexyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
SMILESCCC1CCCC(NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C1.Cl
InChIInChI=1S/C19H27N3O.ClH/c1-2-13-6-5-7-15(10-13)22-19(23)17(20)11-14-12-21-18-9-4-3-8-16(14)18;/h3-4,8-9,12-13,15,17,21H,2,5-7,10-11,20H2,1H3,(H,22,23);1H/t13?,15?,17-;/m0./s1
InChIKeyQYICYMAQLRPJMO-ILUFHWEDSA-N
XLogP3.54
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylsulfanylcyclohexyl)propanamide;hydrochloride
CID 119957532
(2S)-2-amino-N-(1-ethylpiperidin-4-yl)-3-(1H-indol-3-yl)propanamide;dihydrochloride
CID 119957877
(2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide
CID 64747832
(2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide
CID 119956583
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-propylcyclopropyl)propanamide;hydrochloride
CID 119957751
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride
CID 119957769
(2S)-2-amino-1-(4-ethylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one;hydrochloride
CID 119956827
(2S)-2-amino-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956124
(2S)-2-amino-N-(2-cyclopentyloxyethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956782
2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 75973820
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylbutan-2-yl)propanamide
CID 61148502
(2S)-2-amino-N-(2-cyclopentyloxyethyl)-3-(1H-indol-3-yl)propanamide
CID 119956783

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-ethylcyclohexyl)-3-(1H-indol-3-yl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(3-ethylcyclohexyl)-3-(1H-indol-3-yl)propanamide;hydrochloride (CID 119957507) is (2S)-2-amino-N-(3-ethylcyclohexyl)-3-(1H-indol-3-yl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(3-ethylcyclohexyl)-3-(1H-indol-3-yl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(3-ethylcyclohexyl)-3-(1H-indol-3-yl)propanamide;hydrochloride is CCC1CCCC(NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C1.Cl.
What is the InChIKey of (2S)-2-amino-N-(3-ethylcyclohexyl)-3-(1H-indol-3-yl)propanamide;hydrochloride?
The InChIKey is QYICYMAQLRPJMO-ILUFHWEDSA-N. The full InChI is InChI=1S/C19H27N3O.ClH/c1-2-13-6-5-7-15(10-13)22-19(23)17(20)11-14-12-21-18-9-4-3-8-16(14)18;/h3-4,8-9,12-13,15,17,21H,2,5-7,10-11,20H2,1H3,(H,22,23);1H/t13?,15?,17-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(3-ethylcyclohexyl)-3-(1H-indol-3-yl)propanamide;hydrochloride?
(2S)-2-amino-N-(3-ethylcyclohexyl)-3-(1H-indol-3-yl)propanamide;hydrochloride has a molecular weight of 349.91 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-ethylcyclohexyl)-3-(1H-indol-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 119957507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).