N-(1-hydroxypentan-3-yl)-5-methoxy-2-methyl-1-propylindole-3-carboxamide

C19H28N2O3 — CID 109479265

IUPACN-(1-hydroxypentan-3-yl)-5-methoxy-2-methyl-1-propylindole-3-carboxamide
SMILESCCCn1c(C)c(C(=O)NC(CC)CCO)c2cc(OC)ccc21
InChIInChI=1S/C19H28N2O3/c1-5-10-21-13(3)18(19(23)20-14(6-2)9-11-22)16-12-15(24-4)7-8-17(16)21/h7-8,12,14,22H,5-6,9-11H2,1-4H3,(H,20,23)
InChIKeyKVULIKGOMVHXKV-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.26
Rot. Bonds8

About N-(1-hydroxypentan-3-yl)-5-methoxy-2-methyl-1-propylindole-3-carboxamide

N-(1-hydroxypentan-3-yl)-5-methoxy-2-methyl-1-propylindole-3-carboxamide (PubChem CID 109479265) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-5-methoxy-2-methyl-1-propylindole-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-5-methoxy-2-methyl-1-propylindole-3-carboxamide
PubChem CID109479265
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-(1-hydroxypentan-3-yl)-5-methoxy-2-methyl-1-propylindole-3-carboxamide
SMILESCCCn1c(C)c(C(=O)NC(CC)CCO)c2cc(OC)ccc21
InChIInChI=1S/C19H28N2O3/c1-5-10-21-13(3)18(19(23)20-14(6-2)9-11-22)16-12-15(24-4)7-8-17(16)21/h7-8,12,14,22H,5-6,9-11H2,1-4H3,(H,20,23)
InChIKeyKVULIKGOMVHXKV-UHFFFAOYSA-N
XLogP3.26
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methoxy-2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone
CID 53357513
ethyl 5-methoxy-1-(2-methoxyethyl)-2-methylindole-3-carboxylate
CID 99990777
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-2-methyl-1-propylindole-3-carboxamide
CID 86851018
[4-[2-(4-hydroxyphenyl)ethyl]piperazin-1-yl]-(5-methoxy-2-methyl-1-propylindol-3-yl)methanone;N-methylmethanamine
CID 144846953
1-cyclopropyl-5-methoxy-2-methyl-N-(5-methylhexan-2-yl)indole-3-carboxamide
CID 17429408
ethyl 5-methoxy-2-methyl-1-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]indole-3-carboxylate
CID 6979080
N-(1-hydroxypentan-3-yl)-2-methoxy-5-methylbenzamide
CID 115767323
N-(1-hydroxypentan-3-yl)-4-propoxybenzamide
CID 115767380
2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid
CID 21191866
N-(1-hydroxypentan-3-yl)-2,3,4-trimethoxybenzamide
CID 115735137
2-(5-methoxy-2-methyl-1-octylindol-3-yl)acetohydrazide
CID 70239958
5-(3-methoxycarbazol-9-yl)pentan-1-ol
CID 153297193

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-5-methoxy-2-methyl-1-propylindole-3-carboxamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-5-methoxy-2-methyl-1-propylindole-3-carboxamide (CID 109479265) is N-(1-hydroxypentan-3-yl)-5-methoxy-2-methyl-1-propylindole-3-carboxamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-5-methoxy-2-methyl-1-propylindole-3-carboxamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-5-methoxy-2-methyl-1-propylindole-3-carboxamide is CCCn1c(C)c(C(=O)NC(CC)CCO)c2cc(OC)ccc21.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-5-methoxy-2-methyl-1-propylindole-3-carboxamide?
The InChIKey is KVULIKGOMVHXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-5-10-21-13(3)18(19(23)20-14(6-2)9-11-22)16-12-15(24-4)7-8-17(16)21/h7-8,12,14,22H,5-6,9-11H2,1-4H3,(H,20,23).
What are the key properties of N-(1-hydroxypentan-3-yl)-5-methoxy-2-methyl-1-propylindole-3-carboxamide?
N-(1-hydroxypentan-3-yl)-5-methoxy-2-methyl-1-propylindole-3-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-5-methoxy-2-methyl-1-propylindole-3-carboxamide is sourced from PubChem (CID 109479265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).