anilino propan-2-yl carbonate

C10H13NO3 — CID 167181374

IUPACanilino propan-2-yl carbonate
SMILESCC(C)OC(=O)ONc1ccccc1
InChIInChI=1S/C10H13NO3/c1-8(2)13-10(12)14-11-9-6-4-3-5-7-9/h3-8,11H,1-2H3
InChIKeyMFAHTENZTRNAIA-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.58
Rot. Bonds3

About anilino propan-2-yl carbonate

anilino propan-2-yl carbonate (PubChem CID 167181374) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is anilino propan-2-yl carbonate.

Molecular Properties

Compound Nameanilino propan-2-yl carbonate
PubChem CID167181374
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Nameanilino propan-2-yl carbonate
SMILESCC(C)OC(=O)ONc1ccccc1
InChIInChI=1S/C10H13NO3/c1-8(2)13-10(12)14-11-9-6-4-3-5-7-9/h3-8,11H,1-2H3
InChIKeyMFAHTENZTRNAIA-UHFFFAOYSA-N
XLogP2.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-anilinooxycarbonyloxypropanoate
CID 134425332
propan-2-yl 2-oxo-2-(2-phenylhydrazinyl)acetate
CID 4661286
(2S)-3-anilinooxy-2-methyl-3-oxopropanoate
CID 6931517
2-(phenylcarbamothioyloxy)propanoic acid
CID 71344349
acetic acid;N-methoxyaniline
CID 174899473
2-(4-anilinophenoxy)propanoic acid
CID 43519559
[(2S)-1-anilino-1-oxopropan-2-yl] acetate
CID 7000051
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
2-(1-anilino-1-oxopropan-2-yl)oxy-N-phenylpropanamide
CID 141218606
benzene;N-methoxyaniline
CID 159505017
isocyanic acid;N-methoxyaniline
CID 172774828
4-anilinooxycarbonylbenzoic acid
CID 154089254

Frequently Asked Questions

What is the IUPAC name of anilino propan-2-yl carbonate?
The IUPAC name of anilino propan-2-yl carbonate (CID 167181374) is anilino propan-2-yl carbonate.
What is the SMILES notation for anilino propan-2-yl carbonate?
The canonical SMILES for anilino propan-2-yl carbonate is CC(C)OC(=O)ONc1ccccc1.
What is the InChIKey of anilino propan-2-yl carbonate?
The InChIKey is MFAHTENZTRNAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-8(2)13-10(12)14-11-9-6-4-3-5-7-9/h3-8,11H,1-2H3.
What are the key properties of anilino propan-2-yl carbonate?
anilino propan-2-yl carbonate has a molecular weight of 195.22 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anilino propan-2-yl carbonate is sourced from PubChem (CID 167181374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).