1-[(1S)-2-(diethylamino)-1-phenylethyl]-3-phenylurea

C19H25N3O — CID 8933297

IUPAC1-[(1S)-2-(diethylamino)-1-phenylethyl]-3-phenylurea
SMILESCCN(CC)C[C@@H](NC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H25N3O/c1-3-22(4-2)15-18(16-11-7-5-8-12-16)21-19(23)20-17-13-9-6-10-14-17/h5-14,18H,3-4,15H2,1-2H3,(H2,20,21,23)/t18-/m1/s1
InChIKeyIFBGTGGSPWOMSM-GOSISDBHSA-N
MW311.43 g/mol
LogP3.89
Rot. Bonds7

About 1-[(1S)-2-(diethylamino)-1-phenylethyl]-3-phenylurea

1-[(1S)-2-(diethylamino)-1-phenylethyl]-3-phenylurea (PubChem CID 8933297) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[(1S)-2-(diethylamino)-1-phenylethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(1S)-2-(diethylamino)-1-phenylethyl]-3-phenylurea
PubChem CID8933297
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-[(1S)-2-(diethylamino)-1-phenylethyl]-3-phenylurea
SMILESCCN(CC)C[C@@H](NC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H25N3O/c1-3-22(4-2)15-18(16-11-7-5-8-12-16)21-19(23)20-17-13-9-6-10-14-17/h5-14,18H,3-4,15H2,1-2H3,(H2,20,21,23)/t18-/m1/s1
InChIKeyIFBGTGGSPWOMSM-GOSISDBHSA-N
XLogP3.89
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
1-(4-bromophenyl)-3-(1-phenylpropyl)urea
CID 3395265
(2S)-N,N-diethyl-2-phenyl-2-(phenylcarbamoylamino)acetamide
CID 110287102
1-[2-(dimethylamino)-1-phenylethyl]-3-(4-nitrophenyl)urea
CID 86910236
1-[4-(aminomethyl)phenyl]-3-(1-phenylpropyl)urea
CID 62306433
1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
N-[2-(dimethylamino)-1-phenylethyl]-3-(phenylcarbamoylamino)propanamide
CID 24504307
1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-1-phenylethyl]urea
CID 24528764
N,N',N'-triethyl-1-phenylethane-1,2-diamine
CID 60695169
1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea
CID 40635808
1-[1-(4-methylsulfonylphenyl)propyl]-3-phenylurea
CID 50944728
1-(3-aminophenyl)-3-(1-phenylpropyl)urea
CID 62304555

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-(diethylamino)-1-phenylethyl]-3-phenylurea?
The IUPAC name of 1-[(1S)-2-(diethylamino)-1-phenylethyl]-3-phenylurea (CID 8933297) is 1-[(1S)-2-(diethylamino)-1-phenylethyl]-3-phenylurea.
What is the SMILES notation for 1-[(1S)-2-(diethylamino)-1-phenylethyl]-3-phenylurea?
The canonical SMILES for 1-[(1S)-2-(diethylamino)-1-phenylethyl]-3-phenylurea is CCN(CC)C[C@@H](NC(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(1S)-2-(diethylamino)-1-phenylethyl]-3-phenylurea?
The InChIKey is IFBGTGGSPWOMSM-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25N3O/c1-3-22(4-2)15-18(16-11-7-5-8-12-16)21-19(23)20-17-13-9-6-10-14-17/h5-14,18H,3-4,15H2,1-2H3,(H2,20,21,23)/t18-/m1/s1.
What are the key properties of 1-[(1S)-2-(diethylamino)-1-phenylethyl]-3-phenylurea?
1-[(1S)-2-(diethylamino)-1-phenylethyl]-3-phenylurea has a molecular weight of 311.43 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-(diethylamino)-1-phenylethyl]-3-phenylurea is sourced from PubChem (CID 8933297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).