(2S)-2-(3-acetylindol-1-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide

C18H22N4O3 — CID 124756132

IUPAC(2S)-2-(3-acetylindol-1-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide
SMILESCC(=O)c1cn([C@@H](C)C(=O)NCCN2CCNC2=O)c2ccccc12
InChIInChI=1S/C18H22N4O3/c1-12(17(24)19-7-9-21-10-8-20-18(21)25)22-11-15(13(2)23)14-5-3-4-6-16(14)22/h3-6,11-12H,7-10H2,1-2H3,(H,19,24)(H,20,25)/t12-/m0/s1
InChIKeyRTIUKDASHRMVDX-LBPRGKRZSA-N
MW342.40 g/mol
LogP1.55
Rot. Bonds6

About (2S)-2-(3-acetylindol-1-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide

(2S)-2-(3-acetylindol-1-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide (PubChem CID 124756132) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2S)-2-(3-acetylindol-1-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-acetylindol-1-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide
PubChem CID124756132
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(2S)-2-(3-acetylindol-1-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide
SMILESCC(=O)c1cn([C@@H](C)C(=O)NCCN2CCNC2=O)c2ccccc12
InChIInChI=1S/C18H22N4O3/c1-12(17(24)19-7-9-21-10-8-20-18(21)25)22-11-15(13(2)23)14-5-3-4-6-16(14)22/h3-6,11-12H,7-10H2,1-2H3,(H,19,24)(H,20,25)/t12-/m0/s1
InChIKeyRTIUKDASHRMVDX-LBPRGKRZSA-N
XLogP1.55
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
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(2S)-2-(3-acetylindol-1-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
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2-(3-acetylindol-1-yl)-N-(2-quinolin-8-yloxyethyl)propanamide
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1-naphthalen-1-yl-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
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1-[2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]imidazolidin-2-one
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4-naphthalen-1-yl-4-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]butanamide
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ethyl 4-[[(2R)-2-(3-acetylindol-1-yl)propanoyl]amino]benzoate
CID 126206528
(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide
CID 126444906
N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide
CID 59804618
N-(3-morpholin-4-ylpropyl)-1-propan-2-ylindole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-acetylindol-1-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-(3-acetylindol-1-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide (CID 124756132) is (2S)-2-(3-acetylindol-1-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(3-acetylindol-1-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(3-acetylindol-1-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide is CC(=O)c1cn([C@@H](C)C(=O)NCCN2CCNC2=O)c2ccccc12.
What is the InChIKey of (2S)-2-(3-acetylindol-1-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide?
The InChIKey is RTIUKDASHRMVDX-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12(17(24)19-7-9-21-10-8-20-18(21)25)22-11-15(13(2)23)14-5-3-4-6-16(14)22/h3-6,11-12H,7-10H2,1-2H3,(H,19,24)(H,20,25)/t12-/m0/s1.
What are the key properties of (2S)-2-(3-acetylindol-1-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide?
(2S)-2-(3-acetylindol-1-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide has a molecular weight of 342.40 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-acetylindol-1-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 124756132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).