[(2S)-1-phenylbutan-2-yl]urea

C11H16N2O — CID 7452634

IUPAC[(2S)-1-phenylbutan-2-yl]urea
SMILESCC[C@@H](Cc1ccccc1)NC(N)=O
InChIInChI=1S/C11H16N2O/c1-2-10(13-11(12)14)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H3,12,13,14)/t10-/m0/s1
InChIKeyGZHXWVYCJHBMBX-JTQLQIEISA-N
MW192.26 g/mol
LogP1.68
Rot. Bonds4

About [(2S)-1-phenylbutan-2-yl]urea

[(2S)-1-phenylbutan-2-yl]urea (PubChem CID 7452634) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is [(2S)-1-phenylbutan-2-yl]urea.

Molecular Properties

Compound Name[(2S)-1-phenylbutan-2-yl]urea
PubChem CID7452634
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name[(2S)-1-phenylbutan-2-yl]urea
SMILESCC[C@@H](Cc1ccccc1)NC(N)=O
InChIInChI=1S/C11H16N2O/c1-2-10(13-11(12)14)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H3,12,13,14)/t10-/m0/s1
InChIKeyGZHXWVYCJHBMBX-JTQLQIEISA-N
XLogP1.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 778631
N-(1-phenylbutan-2-yl)acetamide
CID 2826983
N-[(2R)-1-phenylbutan-2-yl]acetamide
CID 778652
methyl N-[(2S)-1-phenylbutan-2-yl]carbamate
CID 118461048
3-amino-4-oxo-4-(1-phenylbutan-2-ylamino)butanoic acid
CID 54308046
[2-(carbamoylamino)-3-phenylpropyl] carbamate
CID 155892632
2-(methylamino)-N-(1-phenylbutan-2-yl)acetamide
CID 119766326
4-(1-phenylbutan-2-ylamino)butanamide
CID 79007526
3-methyl-N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 2226546
3-methyl-N-[(2R)-1-phenylbutan-2-yl]benzamide
CID 2226547
2-fluoro-N-(1-phenylbutan-2-yl)benzamide
CID 2973548
2-(1-phenylbutan-2-ylamino)ethyl carbamate
CID 83212188

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-phenylbutan-2-yl]urea?
The IUPAC name of [(2S)-1-phenylbutan-2-yl]urea (CID 7452634) is [(2S)-1-phenylbutan-2-yl]urea.
What is the SMILES notation for [(2S)-1-phenylbutan-2-yl]urea?
The canonical SMILES for [(2S)-1-phenylbutan-2-yl]urea is CC[C@@H](Cc1ccccc1)NC(N)=O.
What is the InChIKey of [(2S)-1-phenylbutan-2-yl]urea?
The InChIKey is GZHXWVYCJHBMBX-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-10(13-11(12)14)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H3,12,13,14)/t10-/m0/s1.
What are the key properties of [(2S)-1-phenylbutan-2-yl]urea?
[(2S)-1-phenylbutan-2-yl]urea has a molecular weight of 192.26 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-phenylbutan-2-yl]urea is sourced from PubChem (CID 7452634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).