[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea

C17H21N3O — CID 81350343

IUPAC[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea
SMILESCC(N[C@H](C)c1ccccc1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C17H21N3O/c1-12(14-6-4-3-5-7-14)19-13(2)15-8-10-16(11-9-15)20-17(18)21/h3-13,19H,1-2H3,(H3,18,20,21)/t12-,13?/m1/s1
InChIKeyDYLQTAZWROLFDA-PZORYLMUSA-N
MW283.38 g/mol
LogP3.59
Rot. Bonds5

About [4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea

[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea (PubChem CID 81350343) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is [4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea
PubChem CID81350343
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea
SMILESCC(N[C@H](C)c1ccccc1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C17H21N3O/c1-12(14-6-4-3-5-7-14)19-13(2)15-8-10-16(11-9-15)20-17(18)21/h3-13,19H,1-2H3,(H3,18,20,21)/t12-,13?/m1/s1
InChIKeyDYLQTAZWROLFDA-PZORYLMUSA-N
XLogP3.59
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenyl]urea
CID 81392080
[4-[1-(1-pyridin-4-ylethylamino)ethyl]phenyl]urea
CID 43750014
methyl (2S)-2-[1-[4-(carbamoylamino)phenyl]ethylamino]propanoate
CID 43786771
[4-[1-(pentan-3-ylamino)ethyl]phenyl]urea
CID 43750016
[4-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]phenyl]urea
CID 65312424
[4-[1-(2-phenylethylamino)ethyl]phenyl]urea
CID 43749979
[4-[1-(phenylmethoxyamino)ethyl]phenyl]urea
CID 82712739
[4-[1-(methoxyamino)ethyl]phenyl]urea
CID 82706415
[4-[1-(2-fluoroanilino)ethyl]phenyl]urea
CID 43763368
[4-[1-(pent-4-yn-2-ylamino)ethyl]phenyl]urea
CID 115725242
[4-[1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]phenyl]urea
CID 43792044
[4-[1-(1-ethylsulfanylpropan-2-ylamino)ethyl]phenyl]urea
CID 115725626

Frequently Asked Questions

What is the IUPAC name of [4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea?
The IUPAC name of [4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea (CID 81350343) is [4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea?
The canonical SMILES for [4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea is CC(N[C@H](C)c1ccccc1)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea?
The InChIKey is DYLQTAZWROLFDA-PZORYLMUSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12(14-6-4-3-5-7-14)19-13(2)15-8-10-16(11-9-15)20-17(18)21/h3-13,19H,1-2H3,(H3,18,20,21)/t12-,13?/m1/s1.
What are the key properties of [4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea?
[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea has a molecular weight of 283.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea is sourced from PubChem (CID 81350343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).