(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methylphenyl)ethyl]propanamide

C20H23N3O — CID 119956347

IUPAC(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc(C(C)NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H23N3O/c1-13-7-9-15(10-8-13)14(2)23-20(24)18(21)11-16-12-22-19-6-4-3-5-17(16)19/h3-10,12,14,18,22H,11,21H2,1-2H3,(H,23,24)/t14?,18-/m0/s1
InChIKeyWLUBZZXSSXTMIB-IBYPIGCZSA-N
MW321.42 g/mol
LogP3.22
Rot. Bonds5

About (2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methylphenyl)ethyl]propanamide

(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methylphenyl)ethyl]propanamide (PubChem CID 119956347) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methylphenyl)ethyl]propanamide
PubChem CID119956347
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc(C(C)NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H23N3O/c1-13-7-9-15(10-8-13)14(2)23-20(24)18(21)11-16-12-22-19-6-4-3-5-17(16)19/h3-10,12,14,18,22H,11,21H2,1-2H3,(H,23,24)/t14?,18-/m0/s1
InChIKeyWLUBZZXSSXTMIB-IBYPIGCZSA-N
XLogP3.22
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]propanamide
CID 119956362
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylbutan-2-yl)propanamide
CID 61148502
2-amino-3-(1H-indol-3-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 57128204
(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 119957335
(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 119955955
(2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 103827503
2-amino-N-(4-hydroxybutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 114350867
(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 104910967
(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956120
(2S)-2-amino-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956124
(2S)-2-amino-3-(1H-indol-3-yl)-N-pent-4-yn-2-ylpropanamide
CID 104864210
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methylphenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methylphenyl)ethyl]propanamide (CID 119956347) is (2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methylphenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methylphenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methylphenyl)ethyl]propanamide is Cc1ccc(C(C)NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of (2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methylphenyl)ethyl]propanamide?
The InChIKey is WLUBZZXSSXTMIB-IBYPIGCZSA-N. The full InChI is InChI=1S/C20H23N3O/c1-13-7-9-15(10-8-13)14(2)23-20(24)18(21)11-16-12-22-19-6-4-3-5-17(16)19/h3-10,12,14,18,22H,11,21H2,1-2H3,(H,23,24)/t14?,18-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methylphenyl)ethyl]propanamide?
(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methylphenyl)ethyl]propanamide has a molecular weight of 321.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 119956347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).