5-[2-[2-[2-(cyclopropylmethoxy)-4-ethylphenoxy]ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide

C29H41N3O4 — CID 123963407

IUPAC5-[2-[2-[2-(cyclopropylmethoxy)-4-ethylphenoxy]ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide
SMILESCCc1ccc(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c(OCC2CC2)c1
InChIInChI=1S/C29H41N3O4/c1-3-21-7-8-26(27(18-21)36-19-22-5-6-22)35-14-10-31-20(2)15-23-16-24-9-12-32(11-4-13-33)28(24)25(17-23)29(30)34/h7-8,16-18,20,22,31,33H,3-6,9-15,19H2,1-2H3,(H2,30,34)
InChIKeyMPBUJYKMPLSCGI-UHFFFAOYSA-N
MW495.66 g/mol
LogP3.48
Rot. Bonds15

About 5-[2-[2-[2-(cyclopropylmethoxy)-4-ethylphenoxy]ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide

5-[2-[2-[2-(cyclopropylmethoxy)-4-ethylphenoxy]ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide (PubChem CID 123963407) has the molecular formula C29H41N3O4 and a molecular weight of 495.66 g/mol. Its IUPAC name is 5-[2-[2-[2-(cyclopropylmethoxy)-4-ethylphenoxy]ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide.

Molecular Properties

Compound Name5-[2-[2-[2-(cyclopropylmethoxy)-4-ethylphenoxy]ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide
PubChem CID123963407
Molecular FormulaC29H41N3O4
Molecular Weight495.66 g/mol
Exact Mass495.31
IUPAC Name5-[2-[2-[2-(cyclopropylmethoxy)-4-ethylphenoxy]ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide
SMILESCCc1ccc(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c(OCC2CC2)c1
InChIInChI=1S/C29H41N3O4/c1-3-21-7-8-26(27(18-21)36-19-22-5-6-22)35-14-10-31-20(2)15-23-16-24-9-12-32(11-4-13-33)28(24)25(17-23)29(30)34/h7-8,16-18,20,22,31,33H,3-6,9-15,19H2,1-2H3,(H2,30,34)
InChIKeyMPBUJYKMPLSCGI-UHFFFAOYSA-N
XLogP3.48
TPSA97.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.66
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[2-(4-ethyl-2-methoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide
CID 123576734
5-[2-[2-(2-ethylphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide
CID 123322716
5-[2-[2-(2,6-dimethylphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide
CID 123204312
5-[(2R)-2-[2-[2-(cyclopropylmethoxy)-4-prop-2-enylphenoxy]ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide
CID 86344540
5-[(2R)-2-[2-[2-(cyclopropylmethoxy)-4-fluorophenoxy]ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide
CID 86343237
1-(3-hydroxypropyl)-5-[(2R)-2-[2-[6-(2,2,2-trifluoroethoxy)cyclohexa-1,5-dien-1-yl]oxyethylamino]propyl]-2,3-dihydroindole-7-carboxamide
CID 135295606
5-[2-[2-(4-bromo-2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2-methyl-2,3-dihydroindole-7-carboxamide
CID 123733206
5-[2-[2-(4-chloro-2-ethoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2-methyl-2,3-dihydroindole-7-carboxamide
CID 123631829
1-(3-hydroxypropyl)-N,N-dimethyl-5-[2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindole-7-carboxamide
CID 139672128
methyl 3-[7-carbamoyl-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindol-1-yl]propanoate
CID 56645783
3-[7-[amino(hydroxy)methyl]-5-[2-[2-[5-methyl-2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindol-1-yl]propan-1-ol
CID 123478167
3-[7-cyano-5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2,3-dihydroindol-1-yl]propyl benzoate
CID 18360864

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2-(cyclopropylmethoxy)-4-ethylphenoxy]ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide?
The IUPAC name of 5-[2-[2-[2-(cyclopropylmethoxy)-4-ethylphenoxy]ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide (CID 123963407) is 5-[2-[2-[2-(cyclopropylmethoxy)-4-ethylphenoxy]ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide.
What is the SMILES notation for 5-[2-[2-[2-(cyclopropylmethoxy)-4-ethylphenoxy]ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide?
The canonical SMILES for 5-[2-[2-[2-(cyclopropylmethoxy)-4-ethylphenoxy]ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide is CCc1ccc(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c(OCC2CC2)c1.
What is the InChIKey of 5-[2-[2-[2-(cyclopropylmethoxy)-4-ethylphenoxy]ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide?
The InChIKey is MPBUJYKMPLSCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N3O4/c1-3-21-7-8-26(27(18-21)36-19-22-5-6-22)35-14-10-31-20(2)15-23-16-24-9-12-32(11-4-13-33)28(24)25(17-23)29(30)34/h7-8,16-18,20,22,31,33H,3-6,9-15,19H2,1-2H3,(H2,30,34).
What are the key properties of 5-[2-[2-[2-(cyclopropylmethoxy)-4-ethylphenoxy]ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide?
5-[2-[2-[2-(cyclopropylmethoxy)-4-ethylphenoxy]ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide has a molecular weight of 495.66 g/mol, XLogP of 3.48, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[2-(cyclopropylmethoxy)-4-ethylphenoxy]ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide is sourced from PubChem (CID 123963407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).