(2-formyl-6-phenylphenyl) N-propan-2-ylcarbamate

C17H17NO3 — CID 11694852

IUPAC(2-formyl-6-phenylphenyl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1c(C=O)cccc1-c1ccccc1
InChIInChI=1S/C17H17NO3/c1-12(2)18-17(20)21-16-14(11-19)9-6-10-15(16)13-7-4-3-5-8-13/h3-12H,1-2H3,(H,18,20)
InChIKeyFUXZOOUKZWDTGH-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.66
Rot. Bonds4

About (2-formyl-6-phenylphenyl) N-propan-2-ylcarbamate

(2-formyl-6-phenylphenyl) N-propan-2-ylcarbamate (PubChem CID 11694852) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (2-formyl-6-phenylphenyl) N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(2-formyl-6-phenylphenyl) N-propan-2-ylcarbamate
PubChem CID11694852
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(2-formyl-6-phenylphenyl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1c(C=O)cccc1-c1ccccc1
InChIInChI=1S/C17H17NO3/c1-12(2)18-17(20)21-16-14(11-19)9-6-10-15(16)13-7-4-3-5-8-13/h3-12H,1-2H3,(H,18,20)
InChIKeyFUXZOOUKZWDTGH-UHFFFAOYSA-N
XLogP3.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,6-diphenylphenyl) methyl carbonate
CID 121292231
(2,6-diphenylphenyl) N-(2,6-diphenylphenoxy)carbonylcarbamate
CID 10053564
(3-phenylphenyl) N-propan-2-ylcarbamate
CID 11673293
(3,5-diphenylphenyl) N-propan-2-ylcarbamate
CID 44572190
(2S)-2-(2-formylphenoxy)-N-(2-phenylphenyl)propanamide
CID 7762821
2-formyl-6-phenylbenzoic acid
CID 18003803
2-[2-(2-hydroxyethoxy)ethoxy]-3-phenylbenzaldehyde
CID 14688776
2-(2-formyl-6-methylphenoxy)-N-propan-2-ylpropanamide
CID 112611177
4-phenylnaphthalene-1-carbaldehyde
CID 15050889
2-[2-(2-formylanilino)-3-phenylphenyl]propanoic acid
CID 87093973
2-(2-bromo-6-formylphenoxy)-N-propan-2-ylacetamide
CID 61391421
2-(2-phenylphenyl)benzaldehyde
CID 11322869

Frequently Asked Questions

What is the IUPAC name of (2-formyl-6-phenylphenyl) N-propan-2-ylcarbamate?
The IUPAC name of (2-formyl-6-phenylphenyl) N-propan-2-ylcarbamate (CID 11694852) is (2-formyl-6-phenylphenyl) N-propan-2-ylcarbamate.
What is the SMILES notation for (2-formyl-6-phenylphenyl) N-propan-2-ylcarbamate?
The canonical SMILES for (2-formyl-6-phenylphenyl) N-propan-2-ylcarbamate is CC(C)NC(=O)Oc1c(C=O)cccc1-c1ccccc1.
What is the InChIKey of (2-formyl-6-phenylphenyl) N-propan-2-ylcarbamate?
The InChIKey is FUXZOOUKZWDTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12(2)18-17(20)21-16-14(11-19)9-6-10-15(16)13-7-4-3-5-8-13/h3-12H,1-2H3,(H,18,20).
What are the key properties of (2-formyl-6-phenylphenyl) N-propan-2-ylcarbamate?
(2-formyl-6-phenylphenyl) N-propan-2-ylcarbamate has a molecular weight of 283.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formyl-6-phenylphenyl) N-propan-2-ylcarbamate is sourced from PubChem (CID 11694852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).