1-[2-(dimethylamino)ethyl]-3-[1-(dimethylamino)-3-phenylpropan-2-yl]-1-[(2-fluorophenyl)methyl]urea

C23H33FN4O — CID 55931099

IUPAC1-[2-(dimethylamino)ethyl]-3-[1-(dimethylamino)-3-phenylpropan-2-yl]-1-[(2-fluorophenyl)methyl]urea
SMILESCN(C)CCN(Cc1ccccc1F)C(=O)NC(Cc1ccccc1)CN(C)C
InChIInChI=1S/C23H33FN4O/c1-26(2)14-15-28(17-20-12-8-9-13-22(20)24)23(29)25-21(18-27(3)4)16-19-10-6-5-7-11-19/h5-13,21H,14-18H2,1-4H3,(H,25,29)
InChIKeyNSWKSQRAXWQIRK-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.07
Rot. Bonds10

About 1-[2-(dimethylamino)ethyl]-3-[1-(dimethylamino)-3-phenylpropan-2-yl]-1-[(2-fluorophenyl)methyl]urea

1-[2-(dimethylamino)ethyl]-3-[1-(dimethylamino)-3-phenylpropan-2-yl]-1-[(2-fluorophenyl)methyl]urea (PubChem CID 55931099) has the molecular formula C23H33FN4O and a molecular weight of 400.54 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[1-(dimethylamino)-3-phenylpropan-2-yl]-1-[(2-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[1-(dimethylamino)-3-phenylpropan-2-yl]-1-[(2-fluorophenyl)methyl]urea
PubChem CID55931099
Molecular FormulaC23H33FN4O
Molecular Weight400.54 g/mol
Exact Mass400.26
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[1-(dimethylamino)-3-phenylpropan-2-yl]-1-[(2-fluorophenyl)methyl]urea
SMILESCN(C)CCN(Cc1ccccc1F)C(=O)NC(Cc1ccccc1)CN(C)C
InChIInChI=1S/C23H33FN4O/c1-26(2)14-15-28(17-20-12-8-9-13-22(20)24)23(29)25-21(18-27(3)4)16-19-10-6-5-7-11-19/h5-13,21H,14-18H2,1-4H3,(H,25,29)
InChIKeyNSWKSQRAXWQIRK-UHFFFAOYSA-N
XLogP3.07
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2,4-difluorophenyl)ethyl]-1-[2-(dimethylamino)ethyl]-1-[(2-fluorophenyl)methyl]urea
CID 55925361
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 60559227
1,3-bis[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 124628917
1-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 124628915
N-benzyl-N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)propanamide
CID 78811483
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 146198443
N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-2-naphthalen-1-ylacetamide
CID 97195739
(E)-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 52726416
2-[[3-[[2-(dimethylamino)ethyl-[(2-fluorophenyl)methyl]carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122026875
N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide
CID 55980382
1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-fluorophenyl)methyl]urea
CID 60544381
tert-butyl N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamate
CID 142063959

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[1-(dimethylamino)-3-phenylpropan-2-yl]-1-[(2-fluorophenyl)methyl]urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[1-(dimethylamino)-3-phenylpropan-2-yl]-1-[(2-fluorophenyl)methyl]urea (CID 55931099) is 1-[2-(dimethylamino)ethyl]-3-[1-(dimethylamino)-3-phenylpropan-2-yl]-1-[(2-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-[1-(dimethylamino)-3-phenylpropan-2-yl]-1-[(2-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-[1-(dimethylamino)-3-phenylpropan-2-yl]-1-[(2-fluorophenyl)methyl]urea is CN(C)CCN(Cc1ccccc1F)C(=O)NC(Cc1ccccc1)CN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[1-(dimethylamino)-3-phenylpropan-2-yl]-1-[(2-fluorophenyl)methyl]urea?
The InChIKey is NSWKSQRAXWQIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN4O/c1-26(2)14-15-28(17-20-12-8-9-13-22(20)24)23(29)25-21(18-27(3)4)16-19-10-6-5-7-11-19/h5-13,21H,14-18H2,1-4H3,(H,25,29).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[1-(dimethylamino)-3-phenylpropan-2-yl]-1-[(2-fluorophenyl)methyl]urea?
1-[2-(dimethylamino)ethyl]-3-[1-(dimethylamino)-3-phenylpropan-2-yl]-1-[(2-fluorophenyl)methyl]urea has a molecular weight of 400.54 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-[1-(dimethylamino)-3-phenylpropan-2-yl]-1-[(2-fluorophenyl)methyl]urea is sourced from PubChem (CID 55931099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).