phenyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate

C18H18N2O3 — CID 110348139

IUPACphenyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
SMILESC[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H18N2O3/c1-13(19-18(22)23-15-8-3-2-4-9-15)17(21)20-12-11-14-7-5-6-10-16(14)20/h2-10,13H,11-12H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyLHNDVPSZJSKSSY-ZDUSSCGKSA-N
MW310.35 g/mol
LogP2.75
Rot. Bonds3

About phenyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate

phenyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate (PubChem CID 110348139) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is phenyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
PubChem CID110348139
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Namephenyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
SMILESC[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H18N2O3/c1-13(19-18(22)23-15-8-3-2-4-9-15)17(21)20-12-11-14-7-5-6-10-16(14)20/h2-10,13H,11-12H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyLHNDVPSZJSKSSY-ZDUSSCGKSA-N
XLogP2.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze phenyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate 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

phenyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 110348968
ethyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348137
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid
CID 70362593
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348089
N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110922742
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea
CID 46383476
1-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylphenyl)urea
CID 92881468
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea
CID 92881544
ethyl 2-[[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamoylamino]acetate
CID 92881497
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,3-dimethylphenyl)urea
CID 46383423
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-methylbutyl)urea
CID 46383468

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of phenyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate (CID 110348139) is phenyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for phenyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for phenyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate is C[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCc2ccccc21.
What is the InChIKey of phenyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate?
The InChIKey is LHNDVPSZJSKSSY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-13(19-18(22)23-15-8-3-2-4-9-15)17(21)20-12-11-14-7-5-6-10-16(14)20/h2-10,13H,11-12H2,1H3,(H,19,22)/t13-/m0/s1.
What are the key properties of phenyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate?
phenyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate has a molecular weight of 310.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 110348139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).