N-[3-(diethylamino)propyl]-7-phenylmethoxy-1H-indole-2-carboxamide

C23H29N3O2 — CID 14444321

IUPACN-[3-(diethylamino)propyl]-7-phenylmethoxy-1H-indole-2-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cc2cccc(OCc3ccccc3)c2[nH]1
InChIInChI=1S/C23H29N3O2/c1-3-26(4-2)15-9-14-24-23(27)20-16-19-12-8-13-21(22(19)25-20)28-17-18-10-6-5-7-11-18/h5-8,10-13,16,25H,3-4,9,14-15,17H2,1-2H3,(H,24,27)
InChIKeyJWRNPKZJYJVUFI-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.21
Rot. Bonds10

About N-[3-(diethylamino)propyl]-7-phenylmethoxy-1H-indole-2-carboxamide

N-[3-(diethylamino)propyl]-7-phenylmethoxy-1H-indole-2-carboxamide (PubChem CID 14444321) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-7-phenylmethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-7-phenylmethoxy-1H-indole-2-carboxamide
PubChem CID14444321
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[3-(diethylamino)propyl]-7-phenylmethoxy-1H-indole-2-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cc2cccc(OCc3ccccc3)c2[nH]1
InChIInChI=1S/C23H29N3O2/c1-3-26(4-2)15-9-14-24-23(27)20-16-19-12-8-13-21(22(19)25-20)28-17-18-10-6-5-7-11-18/h5-8,10-13,16,25H,3-4,9,14-15,17H2,1-2H3,(H,24,27)
InChIKeyJWRNPKZJYJVUFI-UHFFFAOYSA-N
XLogP4.21
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[3-(diethylamino)propyl]-7-phenylmethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-7-phenylmethoxy-1H-indole-2-carboxamide (CID 14444321) is N-[3-(diethylamino)propyl]-7-phenylmethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-7-phenylmethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-7-phenylmethoxy-1H-indole-2-carboxamide is CCN(CC)CCCNC(=O)c1cc2cccc(OCc3ccccc3)c2[nH]1.
What is the InChIKey of N-[3-(diethylamino)propyl]-7-phenylmethoxy-1H-indole-2-carboxamide?
The InChIKey is JWRNPKZJYJVUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-26(4-2)15-9-14-24-23(27)20-16-19-12-8-13-21(22(19)25-20)28-17-18-10-6-5-7-11-18/h5-8,10-13,16,25H,3-4,9,14-15,17H2,1-2H3,(H,24,27).
What are the key properties of N-[3-(diethylamino)propyl]-7-phenylmethoxy-1H-indole-2-carboxamide?
N-[3-(diethylamino)propyl]-7-phenylmethoxy-1H-indole-2-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.21, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-7-phenylmethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 14444321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).