propan-2-yl N-[4-(6-methoxy-1-methylindol-2-yl)phenyl]carbamate

C20H22N2O3 — CID 58490950

IUPACpropan-2-yl N-[4-(6-methoxy-1-methylindol-2-yl)phenyl]carbamate
SMILESCOc1ccc2cc(-c3ccc(NC(=O)OC(C)C)cc3)n(C)c2c1
InChIInChI=1S/C20H22N2O3/c1-13(2)25-20(23)21-16-8-5-14(6-9-16)18-11-15-7-10-17(24-4)12-19(15)22(18)3/h5-13H,1-4H3,(H,21,23)
InChIKeyXPWWHEWQKVHWIL-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.81
Rot. Bonds4

About propan-2-yl N-[4-(6-methoxy-1-methylindol-2-yl)phenyl]carbamate

propan-2-yl N-[4-(6-methoxy-1-methylindol-2-yl)phenyl]carbamate (PubChem CID 58490950) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is propan-2-yl N-[4-(6-methoxy-1-methylindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-(6-methoxy-1-methylindol-2-yl)phenyl]carbamate
PubChem CID58490950
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Namepropan-2-yl N-[4-(6-methoxy-1-methylindol-2-yl)phenyl]carbamate
SMILESCOc1ccc2cc(-c3ccc(NC(=O)OC(C)C)cc3)n(C)c2c1
InChIInChI=1S/C20H22N2O3/c1-13(2)25-20(23)21-16-8-5-14(6-9-16)18-11-15-7-10-17(24-4)12-19(15)22(18)3/h5-13H,1-4H3,(H,21,23)
InChIKeyXPWWHEWQKVHWIL-UHFFFAOYSA-N
XLogP4.81
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 70858988
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CID 82093513
propan-2-yl N-(4-methoxy-2-methylphenyl)carbamate
CID 116655687
6-methoxy-N-[4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57392645
5-(6-methoxy-1-methylindol-2-yl)-1,2-oxazole-3-carboxylic acid
CID 115108015
6-methoxy-1-methylindol-2-ol
CID 141043556
4-[4-(propan-2-yloxycarbonylamino)phenyl]benzenesulfonic acid
CID 15965643
2-[4-(propan-2-yloxycarbonylamino)phenoxy]acetic acid
CID 63772697
propan-2-yl 2-[2-[(4-methoxyphenyl)carbamoyloxy]ethylamino]-2-oxoacetate
CID 4268048
3-ethyl-7-methoxy-1-methylquinolin-2-one
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propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate
CID 59425998
5-methoxy-N-(4-methoxyphenyl)indole-1-carboxamide
CID 173299571

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-(6-methoxy-1-methylindol-2-yl)phenyl]carbamate?
The IUPAC name of propan-2-yl N-[4-(6-methoxy-1-methylindol-2-yl)phenyl]carbamate (CID 58490950) is propan-2-yl N-[4-(6-methoxy-1-methylindol-2-yl)phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-(6-methoxy-1-methylindol-2-yl)phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-(6-methoxy-1-methylindol-2-yl)phenyl]carbamate is COc1ccc2cc(-c3ccc(NC(=O)OC(C)C)cc3)n(C)c2c1.
What is the InChIKey of propan-2-yl N-[4-(6-methoxy-1-methylindol-2-yl)phenyl]carbamate?
The InChIKey is XPWWHEWQKVHWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13(2)25-20(23)21-16-8-5-14(6-9-16)18-11-15-7-10-17(24-4)12-19(15)22(18)3/h5-13H,1-4H3,(H,21,23).
What are the key properties of propan-2-yl N-[4-(6-methoxy-1-methylindol-2-yl)phenyl]carbamate?
propan-2-yl N-[4-(6-methoxy-1-methylindol-2-yl)phenyl]carbamate has a molecular weight of 338.41 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-(6-methoxy-1-methylindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 58490950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).