N-[4-(2-hydroxyethyl)phenyl]-3-(7-methyl-1H-indol-3-yl)propanamide

C20H22N2O2 — CID 111487131

IUPACN-[4-(2-hydroxyethyl)phenyl]-3-(7-methyl-1H-indol-3-yl)propanamide
SMILESCc1cccc2c(CCC(=O)Nc3ccc(CCO)cc3)c[nH]c12
InChIInChI=1S/C20H22N2O2/c1-14-3-2-4-18-16(13-21-20(14)18)7-10-19(24)22-17-8-5-15(6-9-17)11-12-23/h2-6,8-9,13,21,23H,7,10-12H2,1H3,(H,22,24)
InChIKeySXWNTRUXFYMFAH-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.58
Rot. Bonds6

About N-[4-(2-hydroxyethyl)phenyl]-3-(7-methyl-1H-indol-3-yl)propanamide

N-[4-(2-hydroxyethyl)phenyl]-3-(7-methyl-1H-indol-3-yl)propanamide (PubChem CID 111487131) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]-3-(7-methyl-1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]-3-(7-methyl-1H-indol-3-yl)propanamide
PubChem CID111487131
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]-3-(7-methyl-1H-indol-3-yl)propanamide
SMILESCc1cccc2c(CCC(=O)Nc3ccc(CCO)cc3)c[nH]c12
InChIInChI=1S/C20H22N2O2/c1-14-3-2-4-18-16(13-21-20(14)18)7-10-19(24)22-17-8-5-15(6-9-17)11-12-23/h2-6,8-9,13,21,23H,7,10-12H2,1H3,(H,22,24)
InChIKeySXWNTRUXFYMFAH-UHFFFAOYSA-N
XLogP3.58
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[4-[3-(7-methyl-1H-indol-3-yl)propanoylamino]phenyl]propanoic acid
CID 119254447
4-(7-methyl-1H-indol-3-yl)butan-2-one
CID 28806455
3-methyl-2-[3-(7-methyl-1H-indol-3-yl)propanoylamino]butanoic acid
CID 119170480
N-[(2R,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]-3-(7-methyl-1H-indol-3-yl)propanamide
CID 97235958
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(7-methyl-1H-indol-3-yl)propanamide
CID 111696845
3-(2,3-difluorophenyl)-N-[4-(2-hydroxyethyl)phenyl]propanamide
CID 110922797
1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
CID 111507161
7-methyl-3-(2-phenylethyl)-1H-indole
CID 174735389
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312
3-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid
CID 119233339
2-methyl-3-[3-(7-methyl-1H-indol-3-yl)propanoylamino]-2-phenylpropanoic acid
CID 120701179
3-[3-(7-methyl-1H-indol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 75498111

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-3-(7-methyl-1H-indol-3-yl)propanamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-3-(7-methyl-1H-indol-3-yl)propanamide (CID 111487131) is N-[4-(2-hydroxyethyl)phenyl]-3-(7-methyl-1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]-3-(7-methyl-1H-indol-3-yl)propanamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]-3-(7-methyl-1H-indol-3-yl)propanamide is Cc1cccc2c(CCC(=O)Nc3ccc(CCO)cc3)c[nH]c12.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]-3-(7-methyl-1H-indol-3-yl)propanamide?
The InChIKey is SXWNTRUXFYMFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-3-2-4-18-16(13-21-20(14)18)7-10-19(24)22-17-8-5-15(6-9-17)11-12-23/h2-6,8-9,13,21,23H,7,10-12H2,1H3,(H,22,24).
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]-3-(7-methyl-1H-indol-3-yl)propanamide?
N-[4-(2-hydroxyethyl)phenyl]-3-(7-methyl-1H-indol-3-yl)propanamide has a molecular weight of 322.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]-3-(7-methyl-1H-indol-3-yl)propanamide is sourced from PubChem (CID 111487131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).