3-[1-(dimethylamino)propan-2-yl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea

C18H28N4O — CID 121494289

IUPAC3-[1-(dimethylamino)propan-2-yl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea
SMILESCc1cc2ccccc2n1CCN(C)C(=O)NC(C)CN(C)C
InChIInChI=1S/C18H28N4O/c1-14(13-20(3)4)19-18(23)21(5)10-11-22-15(2)12-16-8-6-7-9-17(16)22/h6-9,12,14H,10-11,13H2,1-5H3,(H,19,23)
InChIKeyYSQGREGKBXBLBP-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.54
Rot. Bonds6

About 3-[1-(dimethylamino)propan-2-yl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea

3-[1-(dimethylamino)propan-2-yl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea (PubChem CID 121494289) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 3-[1-(dimethylamino)propan-2-yl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea.

Molecular Properties

Compound Name3-[1-(dimethylamino)propan-2-yl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea
PubChem CID121494289
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name3-[1-(dimethylamino)propan-2-yl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea
SMILESCc1cc2ccccc2n1CCN(C)C(=O)NC(C)CN(C)C
InChIInChI=1S/C18H28N4O/c1-14(13-20(3)4)19-18(23)21(5)10-11-22-15(2)12-16-8-6-7-9-17(16)22/h6-9,12,14H,10-11,13H2,1-5H3,(H,19,23)
InChIKeyYSQGREGKBXBLBP-UHFFFAOYSA-N
XLogP2.54
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea
CID 122561620
3-methyl-1-(2-methylindol-1-yl)butan-2-one
CID 12795650
N-methyl-N-[2-(2-methylindol-1-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 74236302
N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4287474
N-[(2S)-1-methoxypropan-2-yl]-2-(2-methylindol-1-yl)acetamide
CID 33342108
N-[2-(2-methylindol-1-yl)ethyl]-2,2-diphenylacetamide
CID 3473428
methyl 3-[methyl-[2-(2-methylindol-1-yl)acetyl]amino]propanoate
CID 61030565
(2S)-1-(2-methylindol-1-yl)propan-2-ol
CID 177480957
2-tert-butyl-N-methyl-N-[2-(2-methylindol-1-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70727206
propan-2-yl 2-(2-methylindol-1-yl)acetate
CID 54940863
2-methyl-1-tetradecylindole
CID 19869962
1-(4-bromobutyl)-2-methylindole
CID 14785376

Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylamino)propan-2-yl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea?
The IUPAC name of 3-[1-(dimethylamino)propan-2-yl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea (CID 121494289) is 3-[1-(dimethylamino)propan-2-yl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea.
What is the SMILES notation for 3-[1-(dimethylamino)propan-2-yl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea?
The canonical SMILES for 3-[1-(dimethylamino)propan-2-yl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea is Cc1cc2ccccc2n1CCN(C)C(=O)NC(C)CN(C)C.
What is the InChIKey of 3-[1-(dimethylamino)propan-2-yl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea?
The InChIKey is YSQGREGKBXBLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-14(13-20(3)4)19-18(23)21(5)10-11-22-15(2)12-16-8-6-7-9-17(16)22/h6-9,12,14H,10-11,13H2,1-5H3,(H,19,23).
What are the key properties of 3-[1-(dimethylamino)propan-2-yl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea?
3-[1-(dimethylamino)propan-2-yl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea has a molecular weight of 316.45 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylamino)propan-2-yl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea is sourced from PubChem (CID 121494289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).