(2R)-N-[(2R)-butan-2-yl]-2-[3-(1H-indol-3-yl)propanoylamino]propanamide

C18H25N3O2 — CID 52781483

IUPAC(2R)-N-[(2R)-butan-2-yl]-2-[3-(1H-indol-3-yl)propanoylamino]propanamide
SMILESCC[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C18H25N3O2/c1-4-12(2)20-18(23)13(3)21-17(22)10-9-14-11-19-16-8-6-5-7-15(14)16/h5-8,11-13,19H,4,9-10H2,1-3H3,(H,20,23)(H,21,22)/t12-,13-/m1/s1
InChIKeyLVROUGRBIIPIEX-CHWSQXEVSA-N
MW315.42 g/mol
LogP2.52
Rot. Bonds7

About (2R)-N-[(2R)-butan-2-yl]-2-[3-(1H-indol-3-yl)propanoylamino]propanamide

(2R)-N-[(2R)-butan-2-yl]-2-[3-(1H-indol-3-yl)propanoylamino]propanamide (PubChem CID 52781483) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (2R)-N-[(2R)-butan-2-yl]-2-[3-(1H-indol-3-yl)propanoylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-butan-2-yl]-2-[3-(1H-indol-3-yl)propanoylamino]propanamide
PubChem CID52781483
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(2R)-N-[(2R)-butan-2-yl]-2-[3-(1H-indol-3-yl)propanoylamino]propanamide
SMILESCC[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C18H25N3O2/c1-4-12(2)20-18(23)13(3)21-17(22)10-9-14-11-19-16-8-6-5-7-15(14)16/h5-8,11-13,19H,4,9-10H2,1-3H3,(H,20,23)(H,21,22)/t12-,13-/m1/s1
InChIKeyLVROUGRBIIPIEX-CHWSQXEVSA-N
XLogP2.52
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide
CID 47315730
(2S)-2-[3-(1H-indol-3-yl)propanoylamino]-N-propylpropanamide
CID 27860985
N-(4-ethylsulfanylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 115662191
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7169307
(2S,3S)-2-[3-(1H-indol-3-yl)propanoylamino]-3-methylpentanoic acid
CID 7094652
3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide
CID 18074487
3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
3-(1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide
CID 97086843
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
CID 644229
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
2-[3-(2-aminophenyl)propanoylamino]-N-butan-2-ylpropanamide;hydrochloride
CID 120609968
calcium (2S)-2-[[(2S)-2-(butanoylamino)propanoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 110187481

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-butan-2-yl]-2-[3-(1H-indol-3-yl)propanoylamino]propanamide?
The IUPAC name of (2R)-N-[(2R)-butan-2-yl]-2-[3-(1H-indol-3-yl)propanoylamino]propanamide (CID 52781483) is (2R)-N-[(2R)-butan-2-yl]-2-[3-(1H-indol-3-yl)propanoylamino]propanamide.
What is the SMILES notation for (2R)-N-[(2R)-butan-2-yl]-2-[3-(1H-indol-3-yl)propanoylamino]propanamide?
The canonical SMILES for (2R)-N-[(2R)-butan-2-yl]-2-[3-(1H-indol-3-yl)propanoylamino]propanamide is CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of (2R)-N-[(2R)-butan-2-yl]-2-[3-(1H-indol-3-yl)propanoylamino]propanamide?
The InChIKey is LVROUGRBIIPIEX-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-4-12(2)20-18(23)13(3)21-17(22)10-9-14-11-19-16-8-6-5-7-15(14)16/h5-8,11-13,19H,4,9-10H2,1-3H3,(H,20,23)(H,21,22)/t12-,13-/m1/s1.
What are the key properties of (2R)-N-[(2R)-butan-2-yl]-2-[3-(1H-indol-3-yl)propanoylamino]propanamide?
(2R)-N-[(2R)-butan-2-yl]-2-[3-(1H-indol-3-yl)propanoylamino]propanamide has a molecular weight of 315.42 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-butan-2-yl]-2-[3-(1H-indol-3-yl)propanoylamino]propanamide is sourced from PubChem (CID 52781483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).