N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-5-(1-methylindol-3-yl)pentanamide

C22H26N2O3 — CID 140983111

IUPACN-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-5-(1-methylindol-3-yl)pentanamide
SMILESCn1cc(CCCCC(=O)NCC(O)c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C22H26N2O3/c1-24-15-17(19-7-3-4-8-20(19)24)6-2-5-9-22(27)23-14-21(26)16-10-12-18(25)13-11-16/h3-4,7-8,10-13,15,21,25-26H,2,5-6,9,14H2,1H3,(H,23,27)
InChIKeyCOJWERCXFHYHME-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.45
Rot. Bonds8

About N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-5-(1-methylindol-3-yl)pentanamide

N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-5-(1-methylindol-3-yl)pentanamide (PubChem CID 140983111) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-5-(1-methylindol-3-yl)pentanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-5-(1-methylindol-3-yl)pentanamide
PubChem CID140983111
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-5-(1-methylindol-3-yl)pentanamide
SMILESCn1cc(CCCCC(=O)NCC(O)c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C22H26N2O3/c1-24-15-17(19-7-3-4-8-20(19)24)6-2-5-9-22(27)23-14-21(26)16-10-12-18(25)13-11-16/h3-4,7-8,10-13,15,21,25-26H,2,5-6,9,14H2,1H3,(H,23,27)
InChIKeyCOJWERCXFHYHME-UHFFFAOYSA-N
XLogP3.45
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(1-methylindol-3-yl)propanamide
CID 167074114
4-(1-methylindol-3-yl)butanamide
CID 175206986
5-(1-methylindol-3-yl)-N-(1,3-thiazol-2-yl)pentanamide
CID 140983112
3-(1-methylindol-3-yl)-N-propan-2-ylpropanamide
CID 110847846
N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412
N-(2-bromophenyl)-4-(1-methylindol-3-yl)butanamide
CID 22522913
N-(2-aminopropyl)-2-(1-methylindol-3-yl)acetamide
CID 110832860
2-amino-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 82495529
3-decyl-1-methylindole
CID 10802084
methyl N-[2-(1-methylindol-3-yl)ethyl]carbamate
CID 14613226
2-acetamido-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 11196581
N-[2-(1-methylindol-3-yl)ethyl]tricos-1-en-2-amine
CID 137414411

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-5-(1-methylindol-3-yl)pentanamide?
The IUPAC name of N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-5-(1-methylindol-3-yl)pentanamide (CID 140983111) is N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-5-(1-methylindol-3-yl)pentanamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-5-(1-methylindol-3-yl)pentanamide?
The canonical SMILES for N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-5-(1-methylindol-3-yl)pentanamide is Cn1cc(CCCCC(=O)NCC(O)c2ccc(O)cc2)c2ccccc21.
What is the InChIKey of N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-5-(1-methylindol-3-yl)pentanamide?
The InChIKey is COJWERCXFHYHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-24-15-17(19-7-3-4-8-20(19)24)6-2-5-9-22(27)23-14-21(26)16-10-12-18(25)13-11-16/h3-4,7-8,10-13,15,21,25-26H,2,5-6,9,14H2,1H3,(H,23,27).
What are the key properties of N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-5-(1-methylindol-3-yl)pentanamide?
N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-5-(1-methylindol-3-yl)pentanamide has a molecular weight of 366.46 g/mol, XLogP of 3.45, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-5-(1-methylindol-3-yl)pentanamide is sourced from PubChem (CID 140983111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).