N-[2-(1H-indol-3-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide

C21H24N2O — CID 113084102

IUPACN-[2-(1H-indol-3-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCC(C)(C)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H24N2O/c1-15-8-10-16(11-9-15)12-20(24)23-14-21(2,3)18-13-22-19-7-5-4-6-17(18)19/h4-11,13,22H,12,14H2,1-3H3,(H,23,24)
InChIKeyVPABHZPMMPKDSW-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.11
Rot. Bonds5

About N-[2-(1H-indol-3-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide

N-[2-(1H-indol-3-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide (PubChem CID 113084102) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
PubChem CID113084102
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-[2-(1H-indol-3-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCC(C)(C)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H24N2O/c1-15-8-10-16(11-9-15)12-20(24)23-14-21(2,3)18-13-22-19-7-5-4-6-17(18)19/h4-11,13,22H,12,14H2,1-3H3,(H,23,24)
InChIKeyVPABHZPMMPKDSW-UHFFFAOYSA-N
XLogP4.11
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 113084044
2-(3-bromophenyl)-N-[2-(1H-indol-3-yl)-2-methylpropyl]acetamide
CID 113084108
3-amino-N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 115153153
[2-(1H-indol-3-yl)-2-methylpropyl]urea
CID 115168791
1-[2-(1H-indol-3-yl)-2-methylpropyl]-3-propan-2-ylurea
CID 113084112
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 113084367
2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]acetic acid
CID 115218163
N-[2-(1H-indol-3-yl)-2-methylpropyl]cyclohexanecarboxamide
CID 113084050
N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-(3-fluorophenyl)acetamide
CID 113084215
N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-2-phenylacetamide
CID 113085684
2-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 115661182
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide (CID 113084102) is N-[2-(1H-indol-3-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NCC(C)(C)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide?
The InChIKey is VPABHZPMMPKDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-15-8-10-16(11-9-15)12-20(24)23-14-21(2,3)18-13-22-19-7-5-4-6-17(18)19/h4-11,13,22H,12,14H2,1-3H3,(H,23,24).
What are the key properties of N-[2-(1H-indol-3-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide?
N-[2-(1H-indol-3-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide has a molecular weight of 320.44 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 113084102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).