1-acetyl-N-[4-(diethylamino)-2-methylphenyl]indole-3-carboxamide

C22H25N3O2 — CID 113208003

IUPAC1-acetyl-N-[4-(diethylamino)-2-methylphenyl]indole-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cn(C(C)=O)c3ccccc23)c(C)c1
InChIInChI=1S/C22H25N3O2/c1-5-24(6-2)17-11-12-20(15(3)13-17)23-22(27)19-14-25(16(4)26)21-10-8-7-9-18(19)21/h7-14H,5-6H2,1-4H3,(H,23,27)
InChIKeyTVUQOMRTTCXYEC-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.71
Rot. Bonds5

About 1-acetyl-N-[4-(diethylamino)-2-methylphenyl]indole-3-carboxamide

1-acetyl-N-[4-(diethylamino)-2-methylphenyl]indole-3-carboxamide (PubChem CID 113208003) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-acetyl-N-[4-(diethylamino)-2-methylphenyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[4-(diethylamino)-2-methylphenyl]indole-3-carboxamide
PubChem CID113208003
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-acetyl-N-[4-(diethylamino)-2-methylphenyl]indole-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cn(C(C)=O)c3ccccc23)c(C)c1
InChIInChI=1S/C22H25N3O2/c1-5-24(6-2)17-11-12-20(15(3)13-17)23-22(27)19-14-25(16(4)26)21-10-8-7-9-18(19)21/h7-14H,5-6H2,1-4H3,(H,23,27)
InChIKeyTVUQOMRTTCXYEC-UHFFFAOYSA-N
XLogP4.71
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]benzoate
CID 108785560
2-[4-(diethylamino)-2-methylanilino]-1-(1-methylindol-3-yl)ethanone
CID 110655518
N-[4-(diethylamino)-2-methylphenyl]-2-(1,2-dimethylindol-3-yl)acetamide
CID 113211503
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-[4-(diethylamino)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791923
N'-(2-carbamoylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108529438
N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide
CID 108953999
1-[4-(diethylamino)-2-methylphenyl]-3-(2-iodophenyl)urea
CID 108869059
1-acetyl-N,N-diethylindole-3-carboxamide
CID 113207891
1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea
CID 46859691
N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide
CID 108518693
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[4-(diethylamino)-2-methylphenyl]indole-3-carboxamide?
The IUPAC name of 1-acetyl-N-[4-(diethylamino)-2-methylphenyl]indole-3-carboxamide (CID 113208003) is 1-acetyl-N-[4-(diethylamino)-2-methylphenyl]indole-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[4-(diethylamino)-2-methylphenyl]indole-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[4-(diethylamino)-2-methylphenyl]indole-3-carboxamide is CCN(CC)c1ccc(NC(=O)c2cn(C(C)=O)c3ccccc23)c(C)c1.
What is the InChIKey of 1-acetyl-N-[4-(diethylamino)-2-methylphenyl]indole-3-carboxamide?
The InChIKey is TVUQOMRTTCXYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-5-24(6-2)17-11-12-20(15(3)13-17)23-22(27)19-14-25(16(4)26)21-10-8-7-9-18(19)21/h7-14H,5-6H2,1-4H3,(H,23,27).
What are the key properties of 1-acetyl-N-[4-(diethylamino)-2-methylphenyl]indole-3-carboxamide?
1-acetyl-N-[4-(diethylamino)-2-methylphenyl]indole-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[4-(diethylamino)-2-methylphenyl]indole-3-carboxamide is sourced from PubChem (CID 113208003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).