tert-butyl N-ethyl-N-[[2-[(6-methoxy-1H-indole-2-carbonyl)amino]phenyl]methyl]carbamate

C24H29N3O4 — CID 60557768

IUPACtert-butyl N-ethyl-N-[[2-[(6-methoxy-1H-indole-2-carbonyl)amino]phenyl]methyl]carbamate
SMILESCCN(Cc1ccccc1NC(=O)c1cc2ccc(OC)cc2[nH]1)C(=O)OC(C)(C)C
InChIInChI=1S/C24H29N3O4/c1-6-27(23(29)31-24(2,3)4)15-17-9-7-8-10-19(17)26-22(28)21-13-16-11-12-18(30-5)14-20(16)25-21/h7-14,25H,6,15H2,1-5H3,(H,26,28)
InChIKeyIUYIYHVXKBOETD-UHFFFAOYSA-N
MW423.51 g/mol
LogP5.19
Rot. Bonds6

About tert-butyl N-ethyl-N-[[2-[(6-methoxy-1H-indole-2-carbonyl)amino]phenyl]methyl]carbamate

tert-butyl N-ethyl-N-[[2-[(6-methoxy-1H-indole-2-carbonyl)amino]phenyl]methyl]carbamate (PubChem CID 60557768) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[[2-[(6-methoxy-1H-indole-2-carbonyl)amino]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[[2-[(6-methoxy-1H-indole-2-carbonyl)amino]phenyl]methyl]carbamate
PubChem CID60557768
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Nametert-butyl N-ethyl-N-[[2-[(6-methoxy-1H-indole-2-carbonyl)amino]phenyl]methyl]carbamate
SMILESCCN(Cc1ccccc1NC(=O)c1cc2ccc(OC)cc2[nH]1)C(=O)OC(C)(C)C
InChIInChI=1S/C24H29N3O4/c1-6-27(23(29)31-24(2,3)4)15-17-9-7-8-10-19(17)26-22(28)21-13-16-11-12-18(30-5)14-20(16)25-21/h7-14,25H,6,15H2,1-5H3,(H,26,28)
InChIKeyIUYIYHVXKBOETD-UHFFFAOYSA-N
XLogP5.19
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.51
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-ethyl-N-[[2-[(6-methoxy-1H-indole-2-carbonyl)amino]phenyl]methyl]carbamate with MolForge

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Related Compounds

N-(2-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 134002747
tert-butyl N-ethyl-N-[[2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]phenyl]methyl]carbamate
CID 60558098
tert-butyl N-ethyl-N-[[2-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]carbamate
CID 60557825
tert-butyl N-ethyl-N-[[2-[[4-(methoxymethyl)benzoyl]amino]phenyl]methyl]carbamate
CID 55700705
6-methoxy-N-(2-phenylphenyl)-1H-indole-2-carboxamide
CID 138604809
tert-butyl N-[[2-[(2,5-difluorobenzoyl)amino]phenyl]methyl]-N-ethylcarbamate
CID 55700706
tert-butyl N-[(6-methoxy-1H-indole-2-carbonyl)amino]carbamate
CID 71885448
tert-butyl N-[[2-[(5-bromothiophene-3-carbonyl)amino]phenyl]methyl]-N-ethylcarbamate
CID 60557887
N-(2-amino-2-methylpropyl)-6-methoxy-1H-indole-2-carboxamide
CID 110833540
6-methoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1H-indole-2-carboxamide
CID 90563019
N-[2-(2-fluorophenyl)-2-methoxypropyl]-6-methoxy-1H-indole-2-carboxamide
CID 90599204
tert-butyl N-[[2-(3-aminopropylamino)phenyl]methyl]-N-ethylcarbamate
CID 107242573

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[[2-[(6-methoxy-1H-indole-2-carbonyl)amino]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[[2-[(6-methoxy-1H-indole-2-carbonyl)amino]phenyl]methyl]carbamate (CID 60557768) is tert-butyl N-ethyl-N-[[2-[(6-methoxy-1H-indole-2-carbonyl)amino]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[[2-[(6-methoxy-1H-indole-2-carbonyl)amino]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[[2-[(6-methoxy-1H-indole-2-carbonyl)amino]phenyl]methyl]carbamate is CCN(Cc1ccccc1NC(=O)c1cc2ccc(OC)cc2[nH]1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[[2-[(6-methoxy-1H-indole-2-carbonyl)amino]phenyl]methyl]carbamate?
The InChIKey is IUYIYHVXKBOETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-6-27(23(29)31-24(2,3)4)15-17-9-7-8-10-19(17)26-22(28)21-13-16-11-12-18(30-5)14-20(16)25-21/h7-14,25H,6,15H2,1-5H3,(H,26,28).
What are the key properties of tert-butyl N-ethyl-N-[[2-[(6-methoxy-1H-indole-2-carbonyl)amino]phenyl]methyl]carbamate?
tert-butyl N-ethyl-N-[[2-[(6-methoxy-1H-indole-2-carbonyl)amino]phenyl]methyl]carbamate has a molecular weight of 423.51 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[[2-[(6-methoxy-1H-indole-2-carbonyl)amino]phenyl]methyl]carbamate is sourced from PubChem (CID 60557768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).