[(2R)-5-phenylpentan-2-yl]urea

C12H18N2O — CID 70818024

IUPAC[(2R)-5-phenylpentan-2-yl]urea
SMILESC[C@H](CCCc1ccccc1)NC(N)=O
InChIInChI=1S/C12H18N2O/c1-10(14-12(13)15)6-5-9-11-7-3-2-4-8-11/h2-4,7-8,10H,5-6,9H2,1H3,(H3,13,14,15)/t10-/m1/s1
InChIKeyNDUQXGJKTYNCGK-SNVBAGLBSA-N
MW206.29 g/mol
LogP2.07
Rot. Bonds5

About [(2R)-5-phenylpentan-2-yl]urea

[(2R)-5-phenylpentan-2-yl]urea (PubChem CID 70818024) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [(2R)-5-phenylpentan-2-yl]urea.

Molecular Properties

Compound Name[(2R)-5-phenylpentan-2-yl]urea
PubChem CID70818024
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[(2R)-5-phenylpentan-2-yl]urea
SMILESC[C@H](CCCc1ccccc1)NC(N)=O
InChIInChI=1S/C12H18N2O/c1-10(14-12(13)15)6-5-9-11-7-3-2-4-8-11/h2-4,7-8,10H,5-6,9H2,1H3,(H3,13,14,15)/t10-/m1/s1
InChIKeyNDUQXGJKTYNCGK-SNVBAGLBSA-N
XLogP2.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide
CID 94187133
tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
CID 174720496
(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809
2-amino-2-phenyl-N-(4-phenylbutan-2-yl)acetamide
CID 61254237
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
N-(5-phenylpentan-2-yl)aniline
CID 134967933
3-methyl-6-phenylhexan-2-one
CID 59396975
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
(3R)-3-methoxycarbonyl-6-phenylhexanoic acid
CID 67881908
(2S,3R)-2-(carbamoylamino)-3-methyl-N-(3-phenylpropyl)pentanamide
CID 2562392
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
methyl (2R)-2-amino-5-phenylpentanoate;hydrochloride
CID 137346959

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-phenylpentan-2-yl]urea?
The IUPAC name of [(2R)-5-phenylpentan-2-yl]urea (CID 70818024) is [(2R)-5-phenylpentan-2-yl]urea.
What is the SMILES notation for [(2R)-5-phenylpentan-2-yl]urea?
The canonical SMILES for [(2R)-5-phenylpentan-2-yl]urea is C[C@H](CCCc1ccccc1)NC(N)=O.
What is the InChIKey of [(2R)-5-phenylpentan-2-yl]urea?
The InChIKey is NDUQXGJKTYNCGK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10(14-12(13)15)6-5-9-11-7-3-2-4-8-11/h2-4,7-8,10H,5-6,9H2,1H3,(H3,13,14,15)/t10-/m1/s1.
What are the key properties of [(2R)-5-phenylpentan-2-yl]urea?
[(2R)-5-phenylpentan-2-yl]urea has a molecular weight of 206.29 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-phenylpentan-2-yl]urea is sourced from PubChem (CID 70818024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).