N-[3-[4-(dimethylamino)phenyl]propyl]-6-ethoxy-1H-indole-2-carboxamide

C22H27N3O2 — CID 55853367

IUPACN-[3-[4-(dimethylamino)phenyl]propyl]-6-ethoxy-1H-indole-2-carboxamide
SMILESCCOc1ccc2cc(C(=O)NCCCc3ccc(N(C)C)cc3)[nH]c2c1
InChIInChI=1S/C22H27N3O2/c1-4-27-19-12-9-17-14-21(24-20(17)15-19)22(26)23-13-5-6-16-7-10-18(11-8-16)25(2)3/h7-12,14-15,24H,4-6,13H2,1-3H3,(H,23,26)
InChIKeyLPOIODIWLPJKLY-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.00
Rot. Bonds8

About N-[3-[4-(dimethylamino)phenyl]propyl]-6-ethoxy-1H-indole-2-carboxamide

N-[3-[4-(dimethylamino)phenyl]propyl]-6-ethoxy-1H-indole-2-carboxamide (PubChem CID 55853367) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]propyl]-6-ethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]propyl]-6-ethoxy-1H-indole-2-carboxamide
PubChem CID55853367
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[3-[4-(dimethylamino)phenyl]propyl]-6-ethoxy-1H-indole-2-carboxamide
SMILESCCOc1ccc2cc(C(=O)NCCCc3ccc(N(C)C)cc3)[nH]c2c1
InChIInChI=1S/C22H27N3O2/c1-4-27-19-12-9-17-14-21(24-20(17)15-19)22(26)23-13-5-6-16-7-10-18(11-8-16)25(2)3/h7-12,14-15,24H,4-6,13H2,1-3H3,(H,23,26)
InChIKeyLPOIODIWLPJKLY-UHFFFAOYSA-N
XLogP4.00
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-ethoxy-N-(3-indol-1-ylpropyl)-1H-indole-2-carboxamide
CID 52670551
N-[4-(dimethylamino)phenyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112520492
6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-6-ethoxy-1H-indole-2-carboxamide
CID 86938809
N-[2-(4-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112529043
N-[5-chloro-2-(dimethylamino)phenyl]-6-ethoxy-1H-indole-2-carboxamide
CID 56532153
6-fluoro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113207440
6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113207554
3-ethyl-1-methyl-1-[(6-pentoxy-1H-indole-2-carbonyl)amino]urea
CID 166309597
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 38420989
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-6-ethoxy-1H-indole-2-carboxamide
CID 55843411
3-(dimethylamino)-N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110795352

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-6-ethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-6-ethoxy-1H-indole-2-carboxamide (CID 55853367) is N-[3-[4-(dimethylamino)phenyl]propyl]-6-ethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]propyl]-6-ethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]propyl]-6-ethoxy-1H-indole-2-carboxamide is CCOc1ccc2cc(C(=O)NCCCc3ccc(N(C)C)cc3)[nH]c2c1.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]propyl]-6-ethoxy-1H-indole-2-carboxamide?
The InChIKey is LPOIODIWLPJKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-4-27-19-12-9-17-14-21(24-20(17)15-19)22(26)23-13-5-6-16-7-10-18(11-8-16)25(2)3/h7-12,14-15,24H,4-6,13H2,1-3H3,(H,23,26).
What are the key properties of N-[3-[4-(dimethylamino)phenyl]propyl]-6-ethoxy-1H-indole-2-carboxamide?
N-[3-[4-(dimethylamino)phenyl]propyl]-6-ethoxy-1H-indole-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)phenyl]propyl]-6-ethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 55853367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).