N-[4-[2-(ethylamino)ethyl]phenyl]-5-phenylmethoxy-1H-indole-2-carboxamide

C26H27N3O2 — CID 71190441

IUPACN-[4-[2-(ethylamino)ethyl]phenyl]-5-phenylmethoxy-1H-indole-2-carboxamide
SMILESCCNCCc1ccc(NC(=O)c2cc3cc(OCc4ccccc4)ccc3[nH]2)cc1
InChIInChI=1S/C26H27N3O2/c1-2-27-15-14-19-8-10-22(11-9-19)28-26(30)25-17-21-16-23(12-13-24(21)29-25)31-18-20-6-4-3-5-7-20/h3-13,16-17,27,29H,2,14-15,18H2,1H3,(H,28,30)
InChIKeyAGMAOPFCOXBSFB-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.15
Rot. Bonds9

About N-[4-[2-(ethylamino)ethyl]phenyl]-5-phenylmethoxy-1H-indole-2-carboxamide

N-[4-[2-(ethylamino)ethyl]phenyl]-5-phenylmethoxy-1H-indole-2-carboxamide (PubChem CID 71190441) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[4-[2-(ethylamino)ethyl]phenyl]-5-phenylmethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(ethylamino)ethyl]phenyl]-5-phenylmethoxy-1H-indole-2-carboxamide
PubChem CID71190441
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-[4-[2-(ethylamino)ethyl]phenyl]-5-phenylmethoxy-1H-indole-2-carboxamide
SMILESCCNCCc1ccc(NC(=O)c2cc3cc(OCc4ccccc4)ccc3[nH]2)cc1
InChIInChI=1S/C26H27N3O2/c1-2-27-15-14-19-8-10-22(11-9-19)28-26(30)25-17-21-16-23(12-13-24(21)29-25)31-18-20-6-4-3-5-7-20/h3-13,16-17,27,29H,2,14-15,18H2,1H3,(H,28,30)
InChIKeyAGMAOPFCOXBSFB-UHFFFAOYSA-N
XLogP5.15
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[2-(ethylamino)ethyl]phenyl]-5-phenylmethoxy-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(dimethylamino)phenyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112520492
bis(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11698527
N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-5-phenylmethoxy-1H-indole-2-carboxamide
CID 58867393
2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone
CID 172736590
N-[2-(4-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112529043
N-(3-chloro-4-methoxyphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112521484
5-ethyl-N-[(3-hydroxy-5-phenylmethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 142237610
benzyl N-[4-(1H-indole-2-carbonylamino)phenyl]carbamate
CID 15224337
N-(2,5-dimethylphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112520813
N-[4-[(4-chlorophenyl)methoxy]phenyl]-5-nitro-1H-indole-2-carboxamide
CID 127051118
(6-methyl-1H-indol-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11625102
(2-methoxyphenyl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 10970353

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(ethylamino)ethyl]phenyl]-5-phenylmethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[4-[2-(ethylamino)ethyl]phenyl]-5-phenylmethoxy-1H-indole-2-carboxamide (CID 71190441) is N-[4-[2-(ethylamino)ethyl]phenyl]-5-phenylmethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-[2-(ethylamino)ethyl]phenyl]-5-phenylmethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-[2-(ethylamino)ethyl]phenyl]-5-phenylmethoxy-1H-indole-2-carboxamide is CCNCCc1ccc(NC(=O)c2cc3cc(OCc4ccccc4)ccc3[nH]2)cc1.
What is the InChIKey of N-[4-[2-(ethylamino)ethyl]phenyl]-5-phenylmethoxy-1H-indole-2-carboxamide?
The InChIKey is AGMAOPFCOXBSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-2-27-15-14-19-8-10-22(11-9-19)28-26(30)25-17-21-16-23(12-13-24(21)29-25)31-18-20-6-4-3-5-7-20/h3-13,16-17,27,29H,2,14-15,18H2,1H3,(H,28,30).
What are the key properties of N-[4-[2-(ethylamino)ethyl]phenyl]-5-phenylmethoxy-1H-indole-2-carboxamide?
N-[4-[2-(ethylamino)ethyl]phenyl]-5-phenylmethoxy-1H-indole-2-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 5.15, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(ethylamino)ethyl]phenyl]-5-phenylmethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 71190441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).