1-[(2R)-1-(dimethylamino)propan-2-yl]-3-[2-(1,6-dimethylindol-3-yl)ethyl]-1-ethylurea

C20H32N4O — CID 124842787

IUPAC1-[(2R)-1-(dimethylamino)propan-2-yl]-3-[2-(1,6-dimethylindol-3-yl)ethyl]-1-ethylurea
SMILESCCN(C(=O)NCCc1cn(C)c2cc(C)ccc12)[C@H](C)CN(C)C
InChIInChI=1S/C20H32N4O/c1-7-24(16(3)13-22(4)5)20(25)21-11-10-17-14-23(6)19-12-15(2)8-9-18(17)19/h8-9,12,14,16H,7,10-11,13H2,1-6H3,(H,21,25)/t16-/m1/s1
InChIKeyCRHBQWMWNFVKFB-MRXNPFEDSA-N
MW344.50 g/mol
LogP3.01
Rot. Bonds7

About 1-[(2R)-1-(dimethylamino)propan-2-yl]-3-[2-(1,6-dimethylindol-3-yl)ethyl]-1-ethylurea

1-[(2R)-1-(dimethylamino)propan-2-yl]-3-[2-(1,6-dimethylindol-3-yl)ethyl]-1-ethylurea (PubChem CID 124842787) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-[(2R)-1-(dimethylamino)propan-2-yl]-3-[2-(1,6-dimethylindol-3-yl)ethyl]-1-ethylurea.

Molecular Properties

Compound Name1-[(2R)-1-(dimethylamino)propan-2-yl]-3-[2-(1,6-dimethylindol-3-yl)ethyl]-1-ethylurea
PubChem CID124842787
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name1-[(2R)-1-(dimethylamino)propan-2-yl]-3-[2-(1,6-dimethylindol-3-yl)ethyl]-1-ethylurea
SMILESCCN(C(=O)NCCc1cn(C)c2cc(C)ccc12)[C@H](C)CN(C)C
InChIInChI=1S/C20H32N4O/c1-7-24(16(3)13-22(4)5)20(25)21-11-10-17-14-23(6)19-12-15(2)8-9-18(17)19/h8-9,12,14,16H,7,10-11,13H2,1-6H3,(H,21,25)/t16-/m1/s1
InChIKeyCRHBQWMWNFVKFB-MRXNPFEDSA-N
XLogP3.01
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(dimethylamino)propan-2-yl]-3-[2-(1,6-dimethylindol-3-yl)ethyl]-1-ethylurea?
The IUPAC name of 1-[(2R)-1-(dimethylamino)propan-2-yl]-3-[2-(1,6-dimethylindol-3-yl)ethyl]-1-ethylurea (CID 124842787) is 1-[(2R)-1-(dimethylamino)propan-2-yl]-3-[2-(1,6-dimethylindol-3-yl)ethyl]-1-ethylurea.
What is the SMILES notation for 1-[(2R)-1-(dimethylamino)propan-2-yl]-3-[2-(1,6-dimethylindol-3-yl)ethyl]-1-ethylurea?
The canonical SMILES for 1-[(2R)-1-(dimethylamino)propan-2-yl]-3-[2-(1,6-dimethylindol-3-yl)ethyl]-1-ethylurea is CCN(C(=O)NCCc1cn(C)c2cc(C)ccc12)[C@H](C)CN(C)C.
What is the InChIKey of 1-[(2R)-1-(dimethylamino)propan-2-yl]-3-[2-(1,6-dimethylindol-3-yl)ethyl]-1-ethylurea?
The InChIKey is CRHBQWMWNFVKFB-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H32N4O/c1-7-24(16(3)13-22(4)5)20(25)21-11-10-17-14-23(6)19-12-15(2)8-9-18(17)19/h8-9,12,14,16H,7,10-11,13H2,1-6H3,(H,21,25)/t16-/m1/s1.
What are the key properties of 1-[(2R)-1-(dimethylamino)propan-2-yl]-3-[2-(1,6-dimethylindol-3-yl)ethyl]-1-ethylurea?
1-[(2R)-1-(dimethylamino)propan-2-yl]-3-[2-(1,6-dimethylindol-3-yl)ethyl]-1-ethylurea has a molecular weight of 344.50 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-(dimethylamino)propan-2-yl]-3-[2-(1,6-dimethylindol-3-yl)ethyl]-1-ethylurea is sourced from PubChem (CID 124842787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).