[N'-(4-propan-2-yloxyphenyl)carbamimidoyl]urea

C11H16N4O2 — CID 136937293

IUPAC[N'-(4-propan-2-yloxyphenyl)carbamimidoyl]urea
SMILESCC(C)Oc1ccc(/N=C(\N)NC(N)=O)cc1
InChIInChI=1S/C11H16N4O2/c1-7(2)17-9-5-3-8(4-6-9)14-10(12)15-11(13)16/h3-7H,1-2H3,(H5,12,13,14,15,16)
InChIKeyQTSRFCNPBLXCRN-UHFFFAOYSA-N
MW236.28 g/mol
LogP1.09
Rot. Bonds3

About [N'-(4-propan-2-yloxyphenyl)carbamimidoyl]urea

[N'-(4-propan-2-yloxyphenyl)carbamimidoyl]urea (PubChem CID 136937293) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is [N'-(4-propan-2-yloxyphenyl)carbamimidoyl]urea.

Molecular Properties

Compound Name[N'-(4-propan-2-yloxyphenyl)carbamimidoyl]urea
PubChem CID136937293
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name[N'-(4-propan-2-yloxyphenyl)carbamimidoyl]urea
SMILESCC(C)Oc1ccc(/N=C(\N)NC(N)=O)cc1
InChIInChI=1S/C11H16N4O2/c1-7(2)17-9-5-3-8(4-6-9)14-10(12)15-11(13)16/h3-7H,1-2H3,(H5,12,13,14,15,16)
InChIKeyQTSRFCNPBLXCRN-UHFFFAOYSA-N
XLogP1.09
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[N'-(4-methylphenyl)carbamimidoyl]urea
CID 135406039
dimethyl 2-(4-propan-2-yloxyphenyl)iminobutanedioate
CID 91290433
N'-(4-propan-2-yloxyphenyl)cyclopentanecarboximidamide
CID 63178568
2-oxo-2-(4-propan-2-yloxyphenyl)acetamide
CID 116924444
3-methylbutyl N-[N'-(4-methoxyphenyl)carbamimidoyl]carbamate
CID 135454776
1-nitroso-4-propan-2-yloxybenzene
CID 102138194
N-carbamoyl-3-(4-propan-2-yloxyphenyl)propanamide
CID 173014561
4-[[amino-(carbamoylamino)methylidene]amino]-N,N-diethylbenzamide;hydrochloride
CID 135875121
[[amino-(4-propan-2-yloxyphenyl)methylidene]amino] acetate
CID 123815247
4-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 4952176
(4-propan-2-yloxybenzoyl)chloranium
CID 143172095
1-(aminodiazenyl)-4-propan-2-yloxybenzene
CID 129114930

Frequently Asked Questions

What is the IUPAC name of [N'-(4-propan-2-yloxyphenyl)carbamimidoyl]urea?
The IUPAC name of [N'-(4-propan-2-yloxyphenyl)carbamimidoyl]urea (CID 136937293) is [N'-(4-propan-2-yloxyphenyl)carbamimidoyl]urea.
What is the SMILES notation for [N'-(4-propan-2-yloxyphenyl)carbamimidoyl]urea?
The canonical SMILES for [N'-(4-propan-2-yloxyphenyl)carbamimidoyl]urea is CC(C)Oc1ccc(/N=C(\N)NC(N)=O)cc1.
What is the InChIKey of [N'-(4-propan-2-yloxyphenyl)carbamimidoyl]urea?
The InChIKey is QTSRFCNPBLXCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7(2)17-9-5-3-8(4-6-9)14-10(12)15-11(13)16/h3-7H,1-2H3,(H5,12,13,14,15,16).
What are the key properties of [N'-(4-propan-2-yloxyphenyl)carbamimidoyl]urea?
[N'-(4-propan-2-yloxyphenyl)carbamimidoyl]urea has a molecular weight of 236.28 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [N'-(4-propan-2-yloxyphenyl)carbamimidoyl]urea is sourced from PubChem (CID 136937293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).