4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide

C19H20N2O2 — CID 54776348

IUPAC4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)c1ccc(CO)cc1
InChIInChI=1S/C19H20N2O2/c1-13-16(17-4-2-3-5-18(17)21-13)10-11-20-19(23)15-8-6-14(12-22)7-9-15/h2-9,21-22H,10-12H2,1H3,(H,20,23)
InChIKeyMFVDCSYNBLNHSI-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.94
Rot. Bonds5

About 4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide

4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide (PubChem CID 54776348) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
PubChem CID54776348
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)c1ccc(CO)cc1
InChIInChI=1S/C19H20N2O2/c1-13-16(17-4-2-3-5-18(17)21-13)10-11-20-19(23)15-8-6-14(12-22)7-9-15/h2-9,21-22H,10-12H2,1H3,(H,20,23)
InChIKeyMFVDCSYNBLNHSI-UHFFFAOYSA-N
XLogP2.94
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 16763802
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 110789064
4-(1H-imidazol-5-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 155128767
2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776329
4-(3-methylimidazol-4-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 155128760
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]benzamide
CID 113086186
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115173271
4-[(2-methyl-1H-indol-3-yl)methyl]benzohydrazide
CID 144880058

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide (CID 54776348) is 4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide is Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(CO)cc1.
What is the InChIKey of 4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide?
The InChIKey is MFVDCSYNBLNHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13-16(17-4-2-3-5-18(17)21-13)10-11-20-19(23)15-8-6-14(12-22)7-9-15/h2-9,21-22H,10-12H2,1H3,(H,20,23).
What are the key properties of 4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide?
4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide has a molecular weight of 308.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 54776348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).