[4-[1-(2-phenylethylamino)ethyl]phenyl]urea

C17H21N3O — CID 43749979

IUPAC[4-[1-(2-phenylethylamino)ethyl]phenyl]urea
SMILESCC(NCCc1ccccc1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C17H21N3O/c1-13(19-12-11-14-5-3-2-4-6-14)15-7-9-16(10-8-15)20-17(18)21/h2-10,13,19H,11-12H2,1H3,(H3,18,20,21)
InChIKeyBPHLLUBEZRZHGX-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.07
Rot. Bonds6

About [4-[1-(2-phenylethylamino)ethyl]phenyl]urea

[4-[1-(2-phenylethylamino)ethyl]phenyl]urea (PubChem CID 43749979) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is [4-[1-(2-phenylethylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-(2-phenylethylamino)ethyl]phenyl]urea
PubChem CID43749979
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name[4-[1-(2-phenylethylamino)ethyl]phenyl]urea
SMILESCC(NCCc1ccccc1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C17H21N3O/c1-13(19-12-11-14-5-3-2-4-6-14)15-7-9-16(10-8-15)20-17(18)21/h2-10,13,19H,11-12H2,1H3,(H3,18,20,21)
InChIKeyBPHLLUBEZRZHGX-UHFFFAOYSA-N
XLogP3.07
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]urea
CID 80685837
[4-[1-(phenylmethoxyamino)ethyl]phenyl]urea
CID 82712739
[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea
CID 81350343
[4-[1-[2-(dimethylamino)ethylamino]ethyl]phenyl]urea
CID 43754835
[4-[1-[2-(cyclopenten-1-yl)ethylamino]ethyl]phenyl]urea
CID 103904492
[4-[1-[3-(diethylamino)propylamino]ethyl]phenyl]urea
CID 43763193
[4-[1-[(2-bromophenyl)methylamino]ethyl]phenyl]urea
CID 43750000
[4-[1-(5-methylsulfanylpentylamino)ethyl]phenyl]urea
CID 104926294
N-phenyl-2-(2-phenylethylamino)propanamide
CID 43083341
[4-[1-(2-methylsulfanylpropylamino)ethyl]phenyl]urea
CID 113349040
N-[4-[1-(ethylamino)ethyl]phenyl]-2-phenylacetamide
CID 43507673
4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 26013431

Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-phenylethylamino)ethyl]phenyl]urea?
The IUPAC name of [4-[1-(2-phenylethylamino)ethyl]phenyl]urea (CID 43749979) is [4-[1-(2-phenylethylamino)ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-(2-phenylethylamino)ethyl]phenyl]urea?
The canonical SMILES for [4-[1-(2-phenylethylamino)ethyl]phenyl]urea is CC(NCCc1ccccc1)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-(2-phenylethylamino)ethyl]phenyl]urea?
The InChIKey is BPHLLUBEZRZHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13(19-12-11-14-5-3-2-4-6-14)15-7-9-16(10-8-15)20-17(18)21/h2-10,13,19H,11-12H2,1H3,(H3,18,20,21).
What are the key properties of [4-[1-(2-phenylethylamino)ethyl]phenyl]urea?
[4-[1-(2-phenylethylamino)ethyl]phenyl]urea has a molecular weight of 283.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2-phenylethylamino)ethyl]phenyl]urea is sourced from PubChem (CID 43749979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).