2-[5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide

C24H31N5O3 — CID 56566160

IUPAC2-[5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide
SMILESCOc1cccc(C(CNC(=O)Nc2ccc3c(ccn3CC(=O)N(C)C)c2)N(C)C)c1
InChIInChI=1S/C24H31N5O3/c1-27(2)22(17-7-6-8-20(14-17)32-5)15-25-24(31)26-19-9-10-21-18(13-19)11-12-29(21)16-23(30)28(3)4/h6-14,22H,15-16H2,1-5H3,(H2,25,26,31)
InChIKeyNRGKNVWXQIHOLL-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.16
Rot. Bonds8

About 2-[5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide

2-[5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide (PubChem CID 56566160) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-[5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide
PubChem CID56566160
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name2-[5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide
SMILESCOc1cccc(C(CNC(=O)Nc2ccc3c(ccn3CC(=O)N(C)C)c2)N(C)C)c1
InChIInChI=1S/C24H31N5O3/c1-27(2)22(17-7-6-8-20(14-17)32-5)15-25-24(31)26-19-9-10-21-18(13-19)11-12-29(21)16-23(30)28(3)4/h6-14,22H,15-16H2,1-5H3,(H2,25,26,31)
InChIKeyNRGKNVWXQIHOLL-UHFFFAOYSA-N
XLogP3.16
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 24528863
1-(3-chlorophenyl)-3-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 41318353
N,N-dimethyl-2-[5-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]indol-1-yl]acetamide
CID 56566444
2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]acetic acid
CID 43445772
2-[5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylcarbamoylamino]indol-1-yl]-N,N-dimethylacetamide
CID 56566383
1-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-methyl-4-pyridinyl)urea
CID 124569034
N,N-dimethyl-2-[5-[(2-methyl-2-morpholin-4-ylpropyl)carbamoylamino]indol-1-yl]acetamide
CID 56566635
2-[5-[[2-methoxyethyl(methyl)carbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide
CID 56782639
1-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea
CID 94171617
1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 60614426
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
1-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
CID 95135852

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide (CID 56566160) is 2-[5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide is COc1cccc(C(CNC(=O)Nc2ccc3c(ccn3CC(=O)N(C)C)c2)N(C)C)c1.
What is the InChIKey of 2-[5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide?
The InChIKey is NRGKNVWXQIHOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-27(2)22(17-7-6-8-20(14-17)32-5)15-25-24(31)26-19-9-10-21-18(13-19)11-12-29(21)16-23(30)28(3)4/h6-14,22H,15-16H2,1-5H3,(H2,25,26,31).
What are the key properties of 2-[5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide?
2-[5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide has a molecular weight of 437.54 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 56566160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).