N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-6-hydroxynaphthalene-2-carboxamide

C32H39N3O3 — CID 15104610

IUPACN-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-6-hydroxynaphthalene-2-carboxamide
SMILESCCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C32H39N3O3/c1-3-5-9-17-35(18-10-6-4-2)32(38)30(21-26-22-33-29-12-8-7-11-28(26)29)34-31(37)25-14-13-24-20-27(36)16-15-23(24)19-25/h7-8,11-16,19-20,22,30,33,36H,3-6,9-10,17-18,21H2,1-2H3,(H,34,37)/t30-/m1/s1
InChIKeyOCJWTEOWJCRLKQ-SSEXGKCCSA-N
MW513.68 g/mol
LogP6.58
Rot. Bonds13

About N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-6-hydroxynaphthalene-2-carboxamide

N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-6-hydroxynaphthalene-2-carboxamide (PubChem CID 15104610) has the molecular formula C32H39N3O3 and a molecular weight of 513.68 g/mol. Its IUPAC name is N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-6-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-6-hydroxynaphthalene-2-carboxamide
PubChem CID15104610
Molecular FormulaC32H39N3O3
Molecular Weight513.68 g/mol
Exact Mass513.30
IUPAC NameN-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-6-hydroxynaphthalene-2-carboxamide
SMILESCCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C32H39N3O3/c1-3-5-9-17-35(18-10-6-4-2)32(38)30(21-26-22-33-29-12-8-7-11-28(26)29)34-31(37)25-14-13-24-20-27(36)16-15-23(24)19-25/h7-8,11-16,19-20,22,30,33,36H,3-6,9-10,17-18,21H2,1-2H3,(H,34,37)/t30-/m1/s1
InChIKeyOCJWTEOWJCRLKQ-SSEXGKCCSA-N
XLogP6.58
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.68
LogP ≤ 56.58
H-Bond Donors ≤ 53
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-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-6-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-6-hydroxynaphthalene-2-carboxamide (CID 15104610) is N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-6-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-6-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-6-hydroxynaphthalene-2-carboxamide is CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2cc(O)ccc2c1.
What is the InChIKey of N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-6-hydroxynaphthalene-2-carboxamide?
The InChIKey is OCJWTEOWJCRLKQ-SSEXGKCCSA-N. The full InChI is InChI=1S/C32H39N3O3/c1-3-5-9-17-35(18-10-6-4-2)32(38)30(21-26-22-33-29-12-8-7-11-28(26)29)34-31(37)25-14-13-24-20-27(36)16-15-23(24)19-25/h7-8,11-16,19-20,22,30,33,36H,3-6,9-10,17-18,21H2,1-2H3,(H,34,37)/t30-/m1/s1.
What are the key properties of N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-6-hydroxynaphthalene-2-carboxamide?
N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-6-hydroxynaphthalene-2-carboxamide has a molecular weight of 513.68 g/mol, XLogP of 6.58, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-6-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 15104610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).