1-[2-(diethylamino)-2-phenylethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea

C22H31N3O2 — CID 112831938

IUPAC1-[2-(diethylamino)-2-phenylethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
SMILESCCN(CC)C(CNC(=O)NC(CO)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H31N3O2/c1-3-25(4-2)21(19-13-9-6-10-14-19)16-23-22(27)24-20(17-26)15-18-11-7-5-8-12-18/h5-14,20-21,26H,3-4,15-17H2,1-2H3,(H2,23,24,27)
InChIKeyHUNBUTMHHKCRDY-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.97
Rot. Bonds10

About 1-[2-(diethylamino)-2-phenylethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea

1-[2-(diethylamino)-2-phenylethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea (PubChem CID 112831938) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-[2-(diethylamino)-2-phenylethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(diethylamino)-2-phenylethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
PubChem CID112831938
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name1-[2-(diethylamino)-2-phenylethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
SMILESCCN(CC)C(CNC(=O)NC(CO)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H31N3O2/c1-3-25(4-2)21(19-13-9-6-10-14-19)16-23-22(27)24-20(17-26)15-18-11-7-5-8-12-18/h5-14,20-21,26H,3-4,15-17H2,1-2H3,(H2,23,24,27)
InChIKeyHUNBUTMHHKCRDY-UHFFFAOYSA-N
XLogP2.97
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
1-[2-[cyclopropyl(methyl)amino]propyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 111104301
2-[[2-(diethylamino)-2-phenylethyl]carbamoylamino]acetic acid
CID 43445777
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924
1-but-2-ynyl-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 84597423
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(2-methylprop-2-enyl)urea
CID 91650522
3-[2-(diethylamino)-2-phenylethyl]-1-ethyl-1-methylurea
CID 115603913
(2R)-2-(diethylamino)-2-phenylethanol
CID 13119692
2-amino-N-[2-(diethylamino)-2-phenylethyl]-2-phenylacetamide
CID 119399166
N-[2-(diethylamino)-2-(4-methylphenyl)ethyl]-2-phenylacetamide
CID 112504225
4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 46654174
N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide
CID 107020132

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-2-phenylethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
The IUPAC name of 1-[2-(diethylamino)-2-phenylethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea (CID 112831938) is 1-[2-(diethylamino)-2-phenylethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea.
What is the SMILES notation for 1-[2-(diethylamino)-2-phenylethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
The canonical SMILES for 1-[2-(diethylamino)-2-phenylethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea is CCN(CC)C(CNC(=O)NC(CO)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-[2-(diethylamino)-2-phenylethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
The InChIKey is HUNBUTMHHKCRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-3-25(4-2)21(19-13-9-6-10-14-19)16-23-22(27)24-20(17-26)15-18-11-7-5-8-12-18/h5-14,20-21,26H,3-4,15-17H2,1-2H3,(H2,23,24,27).
What are the key properties of 1-[2-(diethylamino)-2-phenylethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
1-[2-(diethylamino)-2-phenylethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea has a molecular weight of 369.51 g/mol, XLogP of 2.97, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-2-phenylethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea is sourced from PubChem (CID 112831938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).