N,N-dimethyl-2-[5-[(2-methyl-2-morpholin-4-ylpropyl)carbamoylamino]indol-1-yl]acetamide

C21H31N5O3 — CID 56566635

IUPACN,N-dimethyl-2-[5-[(2-methyl-2-morpholin-4-ylpropyl)carbamoylamino]indol-1-yl]acetamide
SMILESCN(C)C(=O)Cn1ccc2cc(NC(=O)NCC(C)(C)N3CCOCC3)ccc21
InChIInChI=1S/C21H31N5O3/c1-21(2,26-9-11-29-12-10-26)15-22-20(28)23-17-5-6-18-16(13-17)7-8-25(18)14-19(27)24(3)4/h5-8,13H,9-12,14-15H2,1-4H3,(H2,22,23,28)
InChIKeyLAVOLOMCIWMRAS-UHFFFAOYSA-N
MW401.51 g/mol
LogP1.96
Rot. Bonds6

About N,N-dimethyl-2-[5-[(2-methyl-2-morpholin-4-ylpropyl)carbamoylamino]indol-1-yl]acetamide

N,N-dimethyl-2-[5-[(2-methyl-2-morpholin-4-ylpropyl)carbamoylamino]indol-1-yl]acetamide (PubChem CID 56566635) has the molecular formula C21H31N5O3 and a molecular weight of 401.51 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-[(2-methyl-2-morpholin-4-ylpropyl)carbamoylamino]indol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-[(2-methyl-2-morpholin-4-ylpropyl)carbamoylamino]indol-1-yl]acetamide
PubChem CID56566635
Molecular FormulaC21H31N5O3
Molecular Weight401.51 g/mol
Exact Mass401.24
IUPAC NameN,N-dimethyl-2-[5-[(2-methyl-2-morpholin-4-ylpropyl)carbamoylamino]indol-1-yl]acetamide
SMILESCN(C)C(=O)Cn1ccc2cc(NC(=O)NCC(C)(C)N3CCOCC3)ccc21
InChIInChI=1S/C21H31N5O3/c1-21(2,26-9-11-29-12-10-26)15-22-20(28)23-17-5-6-18-16(13-17)7-8-25(18)14-19(27)24(3)4/h5-8,13H,9-12,14-15H2,1-4H3,(H2,22,23,28)
InChIKeyLAVOLOMCIWMRAS-UHFFFAOYSA-N
XLogP1.96
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122079445
2-[5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide
CID 56566160
N,N-dimethyl-2-[5-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]indol-1-yl]acetamide
CID 56566441
1-hexyl-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
CID 56557196
1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(2-morpholin-4-ylpropyl)urea
CID 56556947
N,N-dimethyl-2-[5-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]indol-1-yl]acetamide
CID 56566444
N,N-dimethyl-2-[5-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylcarbamoylamino]indol-1-yl]acetamide
CID 56566221
2-[5-[[2-methoxyethyl(methyl)carbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide
CID 56782639
(2S)-2-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)indol-5-yl]propanamide;hydrochloride
CID 119310412
2-[5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylcarbamoylamino]indol-1-yl]-N,N-dimethylacetamide
CID 56566383
1-[(4-chlorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
CID 56549716
N-[3-[[[1-(2-morpholin-4-ylethyl)indol-5-yl]carbamoylamino]methyl]phenyl]acetamide
CID 56556717

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-[(2-methyl-2-morpholin-4-ylpropyl)carbamoylamino]indol-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[5-[(2-methyl-2-morpholin-4-ylpropyl)carbamoylamino]indol-1-yl]acetamide (CID 56566635) is N,N-dimethyl-2-[5-[(2-methyl-2-morpholin-4-ylpropyl)carbamoylamino]indol-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[5-[(2-methyl-2-morpholin-4-ylpropyl)carbamoylamino]indol-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[5-[(2-methyl-2-morpholin-4-ylpropyl)carbamoylamino]indol-1-yl]acetamide is CN(C)C(=O)Cn1ccc2cc(NC(=O)NCC(C)(C)N3CCOCC3)ccc21.
What is the InChIKey of N,N-dimethyl-2-[5-[(2-methyl-2-morpholin-4-ylpropyl)carbamoylamino]indol-1-yl]acetamide?
The InChIKey is LAVOLOMCIWMRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3/c1-21(2,26-9-11-29-12-10-26)15-22-20(28)23-17-5-6-18-16(13-17)7-8-25(18)14-19(27)24(3)4/h5-8,13H,9-12,14-15H2,1-4H3,(H2,22,23,28).
What are the key properties of N,N-dimethyl-2-[5-[(2-methyl-2-morpholin-4-ylpropyl)carbamoylamino]indol-1-yl]acetamide?
N,N-dimethyl-2-[5-[(2-methyl-2-morpholin-4-ylpropyl)carbamoylamino]indol-1-yl]acetamide has a molecular weight of 401.51 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-[(2-methyl-2-morpholin-4-ylpropyl)carbamoylamino]indol-1-yl]acetamide is sourced from PubChem (CID 56566635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).