2-(4-chlorophenyl)ethyl N-[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-1-phenylethyl]carbamate

C28H27ClN2O4 — CID 139416201

IUPAC2-(4-chlorophenyl)ethyl N-[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-1-phenylethyl]carbamate
SMILESCOCCn1cc(C(=O)C(NC(=O)OCCc2ccc(Cl)cc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C28H27ClN2O4/c1-34-18-16-31-19-24(23-9-5-6-10-25(23)31)27(32)26(21-7-3-2-4-8-21)30-28(33)35-17-15-20-11-13-22(29)14-12-20/h2-14,19,26H,15-18H2,1H3,(H,30,33)
InChIKeyNJKGULGNXDMIJM-UHFFFAOYSA-N
MW490.99 g/mol
LogP5.83
Rot. Bonds10

About 2-(4-chlorophenyl)ethyl N-[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-1-phenylethyl]carbamate

2-(4-chlorophenyl)ethyl N-[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-1-phenylethyl]carbamate (PubChem CID 139416201) has the molecular formula C28H27ClN2O4 and a molecular weight of 490.99 g/mol. Its IUPAC name is 2-(4-chlorophenyl)ethyl N-[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-1-phenylethyl]carbamate.

Molecular Properties

Compound Name2-(4-chlorophenyl)ethyl N-[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-1-phenylethyl]carbamate
PubChem CID139416201
Molecular FormulaC28H27ClN2O4
Molecular Weight490.99 g/mol
Exact Mass490.17
IUPAC Name2-(4-chlorophenyl)ethyl N-[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-1-phenylethyl]carbamate
SMILESCOCCn1cc(C(=O)C(NC(=O)OCCc2ccc(Cl)cc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C28H27ClN2O4/c1-34-18-16-31-19-24(23-9-5-6-10-25(23)31)27(32)26(21-7-3-2-4-8-21)30-28(33)35-17-15-20-11-13-22(29)14-12-20/h2-14,19,26H,15-18H2,1H3,(H,30,33)
InChIKeyNJKGULGNXDMIJM-UHFFFAOYSA-N
XLogP5.83
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.99
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyanilino)-1-[1-(2-methoxyethyl)indol-3-yl]-2-phenylethanone
CID 86728775
1-(2-methoxyethyl)-N-[1-(4-phenylphenyl)propan-2-yl]indole-3-carboxamide
CID 167919547
4-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]butanoic acid
CID 119170603
2-(4-chlorophenyl)ethyl N-(naphthalene-1-carbonylamino)carbamate
CID 6733479
3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701315
6-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]hexanoic acid
CID 119219776
3-[[1-(2-methoxyethyl)indole-3-carbonyl]-(2-methylpropyl)amino]propanoic acid
CID 119190099
1-benzyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]indole-3-carboxamide
CID 55972027
2-[butan-2-yl-[1-(2-methoxyethyl)indole-3-carbonyl]amino]acetic acid
CID 119954915
1-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]indole-3-carboxamide
CID 47072758
1-[1-(2-methoxyethyl)indol-3-yl]-3-propan-2-ylurea
CID 40519790
1-benzyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]indole-3-carboxamide
CID 24625616

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)ethyl N-[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-1-phenylethyl]carbamate?
The IUPAC name of 2-(4-chlorophenyl)ethyl N-[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-1-phenylethyl]carbamate (CID 139416201) is 2-(4-chlorophenyl)ethyl N-[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-1-phenylethyl]carbamate.
What is the SMILES notation for 2-(4-chlorophenyl)ethyl N-[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-1-phenylethyl]carbamate?
The canonical SMILES for 2-(4-chlorophenyl)ethyl N-[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-1-phenylethyl]carbamate is COCCn1cc(C(=O)C(NC(=O)OCCc2ccc(Cl)cc2)c2ccccc2)c2ccccc21.
What is the InChIKey of 2-(4-chlorophenyl)ethyl N-[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-1-phenylethyl]carbamate?
The InChIKey is NJKGULGNXDMIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN2O4/c1-34-18-16-31-19-24(23-9-5-6-10-25(23)31)27(32)26(21-7-3-2-4-8-21)30-28(33)35-17-15-20-11-13-22(29)14-12-20/h2-14,19,26H,15-18H2,1H3,(H,30,33).
What are the key properties of 2-(4-chlorophenyl)ethyl N-[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-1-phenylethyl]carbamate?
2-(4-chlorophenyl)ethyl N-[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-1-phenylethyl]carbamate has a molecular weight of 490.99 g/mol, XLogP of 5.83, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)ethyl N-[2-[1-(2-methoxyethyl)indol-3-yl]-2-oxo-1-phenylethyl]carbamate is sourced from PubChem (CID 139416201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).