phenyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate

C24H23N3O3 — CID 89024512

IUPACphenyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
SMILESCCn1c(-c2cccc(NC(=O)Oc3ccccc3)c2)c(N)c2ccc(OC)cc21
InChIInChI=1S/C24H23N3O3/c1-3-27-21-15-19(29-2)12-13-20(21)22(25)23(27)16-8-7-9-17(14-16)26-24(28)30-18-10-5-4-6-11-18/h4-15H,3,25H2,1-2H3,(H,26,28)
InChIKeyZPXONIYDHGQWFC-UHFFFAOYSA-N
MW401.47 g/mol
LogP5.53
Rot. Bonds5

About phenyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate

phenyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (PubChem CID 89024512) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is phenyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
PubChem CID89024512
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Namephenyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
SMILESCCn1c(-c2cccc(NC(=O)Oc3ccccc3)c2)c(N)c2ccc(OC)cc21
InChIInChI=1S/C24H23N3O3/c1-3-27-21-15-19(29-2)12-13-20(21)22(25)23(27)16-8-7-9-17(14-16)26-24(28)30-18-10-5-4-6-11-18/h4-15H,3,25H2,1-2H3,(H,26,28)
InChIKeyZPXONIYDHGQWFC-UHFFFAOYSA-N
XLogP5.53
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 70844655
phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694220
prop-2-enyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 89024519
1-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-butylurea
CID 70844657
3-chloropropyl N-[3-(3-amino-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate
CID 89024430
2-chloroethyl N-[3-(3-amino-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate
CID 89024374
ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 59424974
3-amino-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole
CID 70844186
propyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694159
ethyl N-[3-(3-amino-1-butyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 70805366
methyl N-[3-[3-amino-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate
CID 70844450
ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate
CID 58694496

Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
The IUPAC name of phenyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (CID 89024512) is phenyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for phenyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for phenyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is CCn1c(-c2cccc(NC(=O)Oc3ccccc3)c2)c(N)c2ccc(OC)cc21.
What is the InChIKey of phenyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
The InChIKey is ZPXONIYDHGQWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-3-27-21-15-19(29-2)12-13-20(21)22(25)23(27)16-8-7-9-17(14-16)26-24(28)30-18-10-5-4-6-11-18/h4-15H,3,25H2,1-2H3,(H,26,28).
What are the key properties of phenyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
phenyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate has a molecular weight of 401.47 g/mol, XLogP of 5.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 89024512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).