(2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(ethylcarbamoyl)propanamide

C15H21N3O2 — CID 25408683

IUPAC(2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)[C@H](C)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C15H21N3O2/c1-3-16-15(20)18-14(19)10(2)17-13-8-7-11-5-4-6-12(11)9-13/h7-10,17H,3-6H2,1-2H3,(H2,16,18,19,20)/t10-/m0/s1
InChIKeyJOMPIXHMIRTVFX-JTQLQIEISA-N
MW275.35 g/mol
LogP1.82
Rot. Bonds4

About (2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(ethylcarbamoyl)propanamide

(2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(ethylcarbamoyl)propanamide (PubChem CID 25408683) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(ethylcarbamoyl)propanamide
PubChem CID25408683
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)[C@H](C)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C15H21N3O2/c1-3-16-15(20)18-14(19)10(2)17-13-8-7-11-5-4-6-12(11)9-13/h7-10,17H,3-6H2,1-2H3,(H2,16,18,19,20)/t10-/m0/s1
InChIKeyJOMPIXHMIRTVFX-JTQLQIEISA-N
XLogP1.82
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetamidoanilino)-N-(ethylcarbamoyl)propanamide
CID 43083279
2-(3,4-dicyanoanilino)-N-(ethylcarbamoyl)propanamide
CID 107789245
N-(ethylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
CID 17443888
N-(ethylcarbamoyl)-2-[4-(propanoylamino)anilino]propanamide
CID 47065348
N-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide
CID 43380765
N-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide
CID 43123150
N-(ethylcarbamoyl)-2-[4-[2-(methylamino)-2-oxoethyl]anilino]propanamide
CID 86924151
N-(ethylcarbamoyl)-2-[3-(methanesulfonamido)-4-methylanilino]propanamide
CID 47079085
(2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(4-nitrophenyl)propanamide
CID 25408377
(2R)-N-(ethylcarbamoyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 28888999
(2S)-2-[3-(2,2-difluoroethoxy)-4-methylanilino]-N-(ethylcarbamoyl)propanamide
CID 94818789
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010623

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(ethylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(ethylcarbamoyl)propanamide (CID 25408683) is (2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)[C@H](C)Nc1ccc2c(c1)CCC2.
What is the InChIKey of (2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(ethylcarbamoyl)propanamide?
The InChIKey is JOMPIXHMIRTVFX-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-16-15(20)18-14(19)10(2)17-13-8-7-11-5-4-6-12(11)9-13/h7-10,17H,3-6H2,1-2H3,(H2,16,18,19,20)/t10-/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(ethylcarbamoyl)propanamide?
(2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(ethylcarbamoyl)propanamide has a molecular weight of 275.35 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 25408683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).