benzyl N-[(2R)-1-(5-methoxyindol-1-yl)propan-2-yl]carbamate

C20H22N2O3 — CID 178146603

IUPACbenzyl N-[(2R)-1-(5-methoxyindol-1-yl)propan-2-yl]carbamate
SMILESCOc1ccc2c(ccn2C[C@@H](C)NC(=O)OCc2ccccc2)c1
InChIInChI=1S/C20H22N2O3/c1-15(21-20(23)25-14-16-6-4-3-5-7-16)13-22-11-10-17-12-18(24-2)8-9-19(17)22/h3-12,15H,13-14H2,1-2H3,(H,21,23)/t15-/m1/s1
InChIKeyGUFGJHKSCDSVDU-OAHLLOKOSA-N
MW338.41 g/mol
LogP3.96
Rot. Bonds6

About benzyl N-[(2R)-1-(5-methoxyindol-1-yl)propan-2-yl]carbamate

benzyl N-[(2R)-1-(5-methoxyindol-1-yl)propan-2-yl]carbamate (PubChem CID 178146603) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is benzyl N-[(2R)-1-(5-methoxyindol-1-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-1-(5-methoxyindol-1-yl)propan-2-yl]carbamate
PubChem CID178146603
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Namebenzyl N-[(2R)-1-(5-methoxyindol-1-yl)propan-2-yl]carbamate
SMILESCOc1ccc2c(ccn2C[C@@H](C)NC(=O)OCc2ccccc2)c1
InChIInChI=1S/C20H22N2O3/c1-15(21-20(23)25-14-16-6-4-3-5-7-16)13-22-11-10-17-12-18(24-2)8-9-19(17)22/h3-12,15H,13-14H2,1-2H3,(H,21,23)/t15-/m1/s1
InChIKeyGUFGJHKSCDSVDU-OAHLLOKOSA-N
XLogP3.96
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl N-[(2R)-1-(5-methoxyindol-1-yl)propan-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

2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide
CID 39314820
methyl 2-(5-phenylmethoxyindol-1-yl)acetate
CID 20770836
(2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid
CID 39377928
benzyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 11631115
(2S)-2-amino-3-(5-methoxyindol-1-yl)propan-1-ol
CID 178146613
(3-methoxyphenyl)methyl N-propan-2-ylcarbamate
CID 23548690
5-methoxy-1-(2-methylbutyl)indole
CID 116619323
benzyl N-[(2S)-2,3-dihydroxy-1-(4-methoxyphenyl)propyl]carbamate
CID 126575938
N-benzyl-5-methoxyindole-1-carboxamide
CID 11055060
2-(5-methoxyindol-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 42648833
2-hydroxy-3-(5-methoxyindol-1-yl)propanal
CID 145175310
benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate
CID 131182059

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-1-(5-methoxyindol-1-yl)propan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2R)-1-(5-methoxyindol-1-yl)propan-2-yl]carbamate (CID 178146603) is benzyl N-[(2R)-1-(5-methoxyindol-1-yl)propan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-1-(5-methoxyindol-1-yl)propan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2R)-1-(5-methoxyindol-1-yl)propan-2-yl]carbamate is COc1ccc2c(ccn2C[C@@H](C)NC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl N-[(2R)-1-(5-methoxyindol-1-yl)propan-2-yl]carbamate?
The InChIKey is GUFGJHKSCDSVDU-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-15(21-20(23)25-14-16-6-4-3-5-7-16)13-22-11-10-17-12-18(24-2)8-9-19(17)22/h3-12,15H,13-14H2,1-2H3,(H,21,23)/t15-/m1/s1.
What are the key properties of benzyl N-[(2R)-1-(5-methoxyindol-1-yl)propan-2-yl]carbamate?
benzyl N-[(2R)-1-(5-methoxyindol-1-yl)propan-2-yl]carbamate has a molecular weight of 338.41 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-1-(5-methoxyindol-1-yl)propan-2-yl]carbamate is sourced from PubChem (CID 178146603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).