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

C19H21N3O — CID 57128204

IUPAC2-amino-3-(1H-indol-3-yl)-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(N)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H21N3O/c1-13-6-8-14(9-7-13)11-22-19(23)17(20)10-15-12-21-18-5-3-2-4-16(15)18/h2-9,12,17,21H,10-11,20H2,1H3,(H,22,23)
InChIKeyWPPQDOOHQIXKOH-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.66
Rot. Bonds5

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

2-amino-3-(1H-indol-3-yl)-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 57128204) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-amino-3-(1H-indol-3-yl)-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-3-(1H-indol-3-yl)-N-[(4-methylphenyl)methyl]propanamide
PubChem CID57128204
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-amino-3-(1H-indol-3-yl)-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(N)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H21N3O/c1-13-6-8-14(9-7-13)11-22-19(23)17(20)10-15-12-21-18-5-3-2-4-16(15)18/h2-9,12,17,21H,10-11,20H2,1H3,(H,22,23)
InChIKeyWPPQDOOHQIXKOH-UHFFFAOYSA-N
XLogP2.66
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
2-amino-3-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384838
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956375
5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid
CID 91013760
(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methylphenyl)ethyl]propanamide
CID 119956347
(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 119956073
(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 104910912
(2R)-2-amino-3-(1H-indol-3-yl)-N-pent-3-ynylpropanamide
CID 104911059
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methylprop-2-enyl)propanamide
CID 104940105
2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 107317776
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 83324335
2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 75973820

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-indol-3-yl)-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 2-amino-3-(1H-indol-3-yl)-N-[(4-methylphenyl)methyl]propanamide (CID 57128204) is 2-amino-3-(1H-indol-3-yl)-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-amino-3-(1H-indol-3-yl)-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-amino-3-(1H-indol-3-yl)-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)C(N)Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 2-amino-3-(1H-indol-3-yl)-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is WPPQDOOHQIXKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-6-8-14(9-7-13)11-22-19(23)17(20)10-15-12-21-18-5-3-2-4-16(15)18/h2-9,12,17,21H,10-11,20H2,1H3,(H,22,23).
What are the key properties of 2-amino-3-(1H-indol-3-yl)-N-[(4-methylphenyl)methyl]propanamide?
2-amino-3-(1H-indol-3-yl)-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 307.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-indol-3-yl)-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 57128204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).