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

C18H28N4O — CID 119958060

IUPAC(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(1H-indol-3-yl)propanamide
SMILESCCC(C)N(C)CCNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H28N4O/c1-4-13(2)22(3)10-9-20-18(23)16(19)11-14-12-21-17-8-6-5-7-15(14)17/h5-8,12-13,16,21H,4,9-11,19H2,1-3H3,(H,20,23)/t13?,16-/m0/s1
InChIKeyADSIQTCWFMWKRY-VYIIXAMBSA-N
MW316.45 g/mol
LogP1.88
Rot. Bonds8

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

(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 119958060) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(1H-indol-3-yl)propanamide
PubChem CID119958060
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(1H-indol-3-yl)propanamide
SMILESCCC(C)N(C)CCNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H28N4O/c1-4-13(2)22(3)10-9-20-18(23)16(19)11-14-12-21-17-8-6-5-7-15(14)17/h5-8,12-13,16,21H,4,9-11,19H2,1-3H3,(H,20,23)/t13?,16-/m0/s1
InChIKeyADSIQTCWFMWKRY-VYIIXAMBSA-N
XLogP1.88
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(1H-indol-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-(1H-indol-3-yl)propanamide
CID 62642036
(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride
CID 119957910
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 104910912
2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 75973820
2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 106134655
(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 119956073
(2S)-2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 106134610
2-amino-N-(2-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 114350915
(2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 83020765
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956375
2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 107317776

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(1H-indol-3-yl)propanamide (CID 119958060) is (2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(1H-indol-3-yl)propanamide is CCC(C)N(C)CCNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is ADSIQTCWFMWKRY-VYIIXAMBSA-N. The full InChI is InChI=1S/C18H28N4O/c1-4-13(2)22(3)10-9-20-18(23)16(19)11-14-12-21-17-8-6-5-7-15(14)17/h5-8,12-13,16,21H,4,9-11,19H2,1-3H3,(H,20,23)/t13?,16-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(1H-indol-3-yl)propanamide?
(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 316.45 g/mol, XLogP of 1.88, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 119958060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).