N-[2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide

C27H29N3O3 — CID 162673791

IUPACN-[2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide
SMILESCOc1cc(C(=O)N2CCc3c(-c4ccccc4)cccc32)ccc1CNCCNC(C)=O
InChIInChI=1S/C27H29N3O3/c1-19(31)29-15-14-28-18-22-12-11-21(17-26(22)33-2)27(32)30-16-13-24-23(9-6-10-25(24)30)20-7-4-3-5-8-20/h3-12,17,28H,13-16,18H2,1-2H3,(H,29,31)
InChIKeyLQDSTHBZDLNTSP-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.79
Rot. Bonds8

About N-[2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide

N-[2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide (PubChem CID 162673791) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide
PubChem CID162673791
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-[2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide
SMILESCOc1cc(C(=O)N2CCc3c(-c4ccccc4)cccc32)ccc1CNCCNC(C)=O
InChIInChI=1S/C27H29N3O3/c1-19(31)29-15-14-28-18-22-12-11-21(17-26(22)33-2)27(32)30-16-13-24-23(9-6-10-25(24)30)20-7-4-3-5-8-20/h3-12,17,28H,13-16,18H2,1-2H3,(H,29,31)
InChIKeyLQDSTHBZDLNTSP-UHFFFAOYSA-N
XLogP3.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide (CID 162673791) is N-[2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide is COc1cc(C(=O)N2CCc3c(-c4ccccc4)cccc32)ccc1CNCCNC(C)=O.
What is the InChIKey of N-[2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide?
The InChIKey is LQDSTHBZDLNTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-19(31)29-15-14-28-18-22-12-11-21(17-26(22)33-2)27(32)30-16-13-24-23(9-6-10-25(24)30)20-7-4-3-5-8-20/h3-12,17,28H,13-16,18H2,1-2H3,(H,29,31).
What are the key properties of N-[2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide?
N-[2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide has a molecular weight of 443.55 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide is sourced from PubChem (CID 162673791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).