1,3-bis[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea

C23H34N4O — CID 124628917

IUPAC1,3-bis[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea
SMILESCN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H](Cc1ccccc1)CN(C)C
InChIInChI=1S/C23H34N4O/c1-26(2)17-21(15-19-11-7-5-8-12-19)24-23(28)25-22(18-27(3)4)16-20-13-9-6-10-14-20/h5-14,21-22H,15-18H2,1-4H3,(H2,24,25,28)/t21-,22-/m1/s1
InChIKeyABQUHHWTKXTADS-FGZHOGPDSA-N
MW382.55 g/mol
LogP2.63
Rot. Bonds10

About 1,3-bis[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea

1,3-bis[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea (PubChem CID 124628917) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is 1,3-bis[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea.

Molecular Properties

Compound Name1,3-bis[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea
PubChem CID124628917
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC Name1,3-bis[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea
SMILESCN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H](Cc1ccccc1)CN(C)C
InChIInChI=1S/C23H34N4O/c1-26(2)17-21(15-19-11-7-5-8-12-19)24-23(28)25-22(18-27(3)4)16-20-13-9-6-10-14-20/h5-14,21-22H,15-18H2,1-4H3,(H2,24,25,28)/t21-,22-/m1/s1
InChIKeyABQUHHWTKXTADS-FGZHOGPDSA-N
XLogP2.63
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 124628915
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 146198443
1-cyclopentyl-3-[1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 60544383
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
1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936634
4-amino-N-[1-(dimethylamino)-3-phenylpropan-2-yl]benzamide;hydrochloride
CID 117067649
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-2-naphthalen-1-ylacetamide
CID 97195739
N-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 97313866
(2S)-1-N,1-N-dimethyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine
CID 58598101
ethyl 4-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoylamino]piperidine-1-carboxylate
CID 60547220

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea?
The IUPAC name of 1,3-bis[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea (CID 124628917) is 1,3-bis[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea.
What is the SMILES notation for 1,3-bis[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea?
The canonical SMILES for 1,3-bis[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea is CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H](Cc1ccccc1)CN(C)C.
What is the InChIKey of 1,3-bis[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea?
The InChIKey is ABQUHHWTKXTADS-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H34N4O/c1-26(2)17-21(15-19-11-7-5-8-12-19)24-23(28)25-22(18-27(3)4)16-20-13-9-6-10-14-20/h5-14,21-22H,15-18H2,1-4H3,(H2,24,25,28)/t21-,22-/m1/s1.
What are the key properties of 1,3-bis[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea?
1,3-bis[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea has a molecular weight of 382.55 g/mol, XLogP of 2.63, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea is sourced from PubChem (CID 124628917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).