2-[(1R)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-propylacetamide

C23H27N3O2 — CID 29020571

IUPAC2-[(1R)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCc2c([nH]c3ccccc23)[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C23H27N3O2/c1-3-13-24-21(27)15-26-14-12-19-18-6-4-5-7-20(18)25-22(19)23(26)16-8-10-17(28-2)11-9-16/h4-11,23,25H,3,12-15H2,1-2H3,(H,24,27)/t23-/m1/s1
InChIKeyZXINZSMUSVDPCH-HSZRJFAPSA-N
MW377.49 g/mol
LogP3.65
Rot. Bonds6

About 2-[(1R)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-propylacetamide

2-[(1R)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-propylacetamide (PubChem CID 29020571) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[(1R)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(1R)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-propylacetamide
PubChem CID29020571
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-[(1R)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCc2c([nH]c3ccccc23)[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C23H27N3O2/c1-3-13-24-21(27)15-26-14-12-19-18-6-4-5-7-20(18)25-22(19)23(26)16-8-10-17(28-2)11-9-16/h4-11,23,25H,3,12-15H2,1-2H3,(H,24,27)/t23-/m1/s1
InChIKeyZXINZSMUSVDPCH-HSZRJFAPSA-N
XLogP3.65
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-2-tetradecyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 167142756
1-[(1R)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]butan-1-one
CID 92730443
1-(4-methoxyphenyl)-N-(3-methoxypropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 20920815
(1S)-1-(4-methylphenyl)-N-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 92706530
N-(2-ethylphenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 20920810
(1R)-N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 92745466
ethoxy-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanol
CID 145496027
1-(3,5-dimethoxyphenyl)-2-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 10427131
methyl 2-[[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl]amino]benzoate
CID 50759073
[(1S)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-pyridin-4-ylmethanone
CID 92730434
[(1S)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methoxyphenyl)methanone
CID 1240692
(1R)-N-(4-methoxyphenyl)-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 92745382

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-propylacetamide?
The IUPAC name of 2-[(1R)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-propylacetamide (CID 29020571) is 2-[(1R)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-propylacetamide.
What is the SMILES notation for 2-[(1R)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-propylacetamide?
The canonical SMILES for 2-[(1R)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-propylacetamide is CCCNC(=O)CN1CCc2c([nH]c3ccccc23)[C@H]1c1ccc(OC)cc1.
What is the InChIKey of 2-[(1R)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-propylacetamide?
The InChIKey is ZXINZSMUSVDPCH-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-3-13-24-21(27)15-26-14-12-19-18-6-4-5-7-20(18)25-22(19)23(26)16-8-10-17(28-2)11-9-16/h4-11,23,25H,3,12-15H2,1-2H3,(H,24,27)/t23-/m1/s1.
What are the key properties of 2-[(1R)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-propylacetamide?
2-[(1R)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-propylacetamide has a molecular weight of 377.49 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-propylacetamide is sourced from PubChem (CID 29020571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).