1-benzyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]indole-3-carboxamide

C28H30N2O4 — CID 55972027

IUPAC1-benzyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]indole-3-carboxamide
SMILESCOCCOc1ccc(C(C)NC(=O)c2cn(Cc3ccccc3)c3ccccc23)cc1OC
InChIInChI=1S/C28H30N2O4/c1-20(22-13-14-26(27(17-22)33-3)34-16-15-32-2)29-28(31)24-19-30(18-21-9-5-4-6-10-21)25-12-8-7-11-23(24)25/h4-14,17,19-20H,15-16,18H2,1-3H3,(H,29,31)
InChIKeyAUECLQCKJNSVGS-UHFFFAOYSA-N
MW458.56 g/mol
LogP5.21
Rot. Bonds10

About 1-benzyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]indole-3-carboxamide

1-benzyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]indole-3-carboxamide (PubChem CID 55972027) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is 1-benzyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]indole-3-carboxamide
PubChem CID55972027
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC Name1-benzyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]indole-3-carboxamide
SMILESCOCCOc1ccc(C(C)NC(=O)c2cn(Cc3ccccc3)c3ccccc23)cc1OC
InChIInChI=1S/C28H30N2O4/c1-20(22-13-14-26(27(17-22)33-3)34-16-15-32-2)29-28(31)24-19-30(18-21-9-5-4-6-10-21)25-12-8-7-11-23(24)25/h4-14,17,19-20H,15-16,18H2,1-3H3,(H,29,31)
InChIKeyAUECLQCKJNSVGS-UHFFFAOYSA-N
XLogP5.21
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]quinoline-4-carboxamide
CID 55797712
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide
CID 55748194
N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55785647
5-bromo-2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 55748470
2-bromo-5-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 78890426
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 55748601
1-benzyl-3-(3,4-dimethoxybenzoyl)quinolin-4-one
CID 2137046
1-benzyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]indole-3-carboxamide
CID 24660627
(3R)-3-(1-benzylindol-3-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)-N-(2-methylpropyl)propanamide
CID 98250727
N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
CID 83274548
2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide
CID 55869434
2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 51954351

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]indole-3-carboxamide?
The IUPAC name of 1-benzyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]indole-3-carboxamide (CID 55972027) is 1-benzyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]indole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]indole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]indole-3-carboxamide is COCCOc1ccc(C(C)NC(=O)c2cn(Cc3ccccc3)c3ccccc23)cc1OC.
What is the InChIKey of 1-benzyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]indole-3-carboxamide?
The InChIKey is AUECLQCKJNSVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4/c1-20(22-13-14-26(27(17-22)33-3)34-16-15-32-2)29-28(31)24-19-30(18-21-9-5-4-6-10-21)25-12-8-7-11-23(24)25/h4-14,17,19-20H,15-16,18H2,1-3H3,(H,29,31).
What are the key properties of 1-benzyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]indole-3-carboxamide?
1-benzyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]indole-3-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 5.21, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]indole-3-carboxamide is sourced from PubChem (CID 55972027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).