methyl N-methyl-N-[4-[[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]carbamate

C21H25N3O3 — CID 95171946

IUPACmethyl N-methyl-N-[4-[[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]carbamate
SMILESCOC(=O)N(C)c1ccc(N[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1
InChIInChI=1S/C21H25N3O3/c1-14-13-16-7-5-6-8-19(16)24(14)20(25)15(2)22-17-9-11-18(12-10-17)23(3)21(26)27-4/h5-12,14-15,22H,13H2,1-4H3/t14-,15+/m1/s1
InChIKeyBRNBMLMXIYXPNM-CABCVRRESA-N
MW367.45 g/mol
LogP3.67
Rot. Bonds4

About methyl N-methyl-N-[4-[[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]carbamate

methyl N-methyl-N-[4-[[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]carbamate (PubChem CID 95171946) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is methyl N-methyl-N-[4-[[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-[4-[[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]carbamate
PubChem CID95171946
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Namemethyl N-methyl-N-[4-[[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]carbamate
SMILESCOC(=O)N(C)c1ccc(N[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1
InChIInChI=1S/C21H25N3O3/c1-14-13-16-7-5-6-8-19(16)24(14)20(25)15(2)22-17-9-11-18(12-10-17)23(3)21(26)27-4/h5-12,14-15,22H,13H2,1-4H3/t14-,15+/m1/s1
InChIKeyBRNBMLMXIYXPNM-CABCVRRESA-N
XLogP3.67
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl N-methyl-N-[4-[[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[(6-methoxy-3-pyridinyl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 37303795
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2462085
3-methyl-N-[4-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]butanamide
CID 43049982
2-(3-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 55351280
4-fluoro-N-[4-[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]benzenesulfonamide
CID 30935060
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 31010331
(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethoxy)anilino]propan-1-one
CID 32786814
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486
5-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid
CID 122058030
(2R)-2-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 79011425
(2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2432568
N-[4-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]-N-methylacetamide
CID 86861188

Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-[4-[[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]carbamate?
The IUPAC name of methyl N-methyl-N-[4-[[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]carbamate (CID 95171946) is methyl N-methyl-N-[4-[[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]carbamate.
What is the SMILES notation for methyl N-methyl-N-[4-[[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]carbamate?
The canonical SMILES for methyl N-methyl-N-[4-[[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]carbamate is COC(=O)N(C)c1ccc(N[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1.
What is the InChIKey of methyl N-methyl-N-[4-[[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]carbamate?
The InChIKey is BRNBMLMXIYXPNM-CABCVRRESA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14-13-16-7-5-6-8-19(16)24(14)20(25)15(2)22-17-9-11-18(12-10-17)23(3)21(26)27-4/h5-12,14-15,22H,13H2,1-4H3/t14-,15+/m1/s1.
What are the key properties of methyl N-methyl-N-[4-[[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]carbamate?
methyl N-methyl-N-[4-[[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]carbamate has a molecular weight of 367.45 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-[4-[[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]carbamate is sourced from PubChem (CID 95171946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).