[3-(1,3-dioxol-2-yl)-1-phenylpropyl]urea

C13H16N2O3 — CID 57231840

IUPAC[3-(1,3-dioxol-2-yl)-1-phenylpropyl]urea
SMILESNC(=O)NC(CCC1OC=CO1)c1ccccc1
InChIInChI=1S/C13H16N2O3/c14-13(16)15-11(10-4-2-1-3-5-10)6-7-12-17-8-9-18-12/h1-5,8-9,11-12H,6-7H2,(H3,14,15,16)
InChIKeyQIBCCPYNUCKBSF-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.02
Rot. Bonds5

About [3-(1,3-dioxol-2-yl)-1-phenylpropyl]urea

[3-(1,3-dioxol-2-yl)-1-phenylpropyl]urea (PubChem CID 57231840) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is [3-(1,3-dioxol-2-yl)-1-phenylpropyl]urea.

Molecular Properties

Compound Name[3-(1,3-dioxol-2-yl)-1-phenylpropyl]urea
PubChem CID57231840
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name[3-(1,3-dioxol-2-yl)-1-phenylpropyl]urea
SMILESNC(=O)NC(CCC1OC=CO1)c1ccccc1
InChIInChI=1S/C13H16N2O3/c14-13(16)15-11(10-4-2-1-3-5-10)6-7-12-17-8-9-18-12/h1-5,8-9,11-12H,6-7H2,(H3,14,15,16)
InChIKeyQIBCCPYNUCKBSF-UHFFFAOYSA-N
XLogP2.02
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenylbutylurea
CID 2852079
(3-bromo-1-phenylpropyl)urea
CID 118035528
1,2-diphenylethylurea
CID 2853470
(4-amino-1-phenylbutyl)carbamic acid
CID 121416370
(5-amino-1-phenylpentyl)carbamic acid
CID 121416369
(3R)-3-(carbamoylamino)-N-methyl-3-phenyl-N-[(1R)-1-phenylethyl]propanamide
CID 41327189
(2-azido-1-phenylethyl)urea
CID 121416559
3-(carbamoylamino)-3-phenyl-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 43064243
(2-amino-1-phenylethyl)carbamic acid
CID 66600321
4-[(2-aminoacetyl)amino]-4-phenylbutanoic acid
CID 61161871
[(1S)-3-hydroxy-1-phenylpropyl]carbamothioic S-acid
CID 142183585
[(1R)-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]urea
CID 100611253

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-dioxol-2-yl)-1-phenylpropyl]urea?
The IUPAC name of [3-(1,3-dioxol-2-yl)-1-phenylpropyl]urea (CID 57231840) is [3-(1,3-dioxol-2-yl)-1-phenylpropyl]urea.
What is the SMILES notation for [3-(1,3-dioxol-2-yl)-1-phenylpropyl]urea?
The canonical SMILES for [3-(1,3-dioxol-2-yl)-1-phenylpropyl]urea is NC(=O)NC(CCC1OC=CO1)c1ccccc1.
What is the InChIKey of [3-(1,3-dioxol-2-yl)-1-phenylpropyl]urea?
The InChIKey is QIBCCPYNUCKBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c14-13(16)15-11(10-4-2-1-3-5-10)6-7-12-17-8-9-18-12/h1-5,8-9,11-12H,6-7H2,(H3,14,15,16).
What are the key properties of [3-(1,3-dioxol-2-yl)-1-phenylpropyl]urea?
[3-(1,3-dioxol-2-yl)-1-phenylpropyl]urea has a molecular weight of 248.28 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-dioxol-2-yl)-1-phenylpropyl]urea is sourced from PubChem (CID 57231840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).