N-(1-methoxy-1-phenylpropan-2-yl)-N-methylformamide

C12H17NO2 — CID 145356517

IUPACN-(1-methoxy-1-phenylpropan-2-yl)-N-methylformamide
SMILESCOC(c1ccccc1)C(C)N(C)C=O
InChIInChI=1S/C12H17NO2/c1-10(13(2)9-14)12(15-3)11-7-5-4-6-8-11/h4-10,12H,1-3H3
InChIKeyFBNWZAKOQFTEPF-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.85
Rot. Bonds5

About N-(1-methoxy-1-phenylpropan-2-yl)-N-methylformamide

N-(1-methoxy-1-phenylpropan-2-yl)-N-methylformamide (PubChem CID 145356517) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-(1-methoxy-1-phenylpropan-2-yl)-N-methylformamide.

Molecular Properties

Compound NameN-(1-methoxy-1-phenylpropan-2-yl)-N-methylformamide
PubChem CID145356517
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-(1-methoxy-1-phenylpropan-2-yl)-N-methylformamide
SMILESCOC(c1ccccc1)C(C)N(C)C=O
InChIInChI=1S/C12H17NO2/c1-10(13(2)9-14)12(15-3)11-7-5-4-6-8-11/h4-10,12H,1-3H3
InChIKeyFBNWZAKOQFTEPF-UHFFFAOYSA-N
XLogP1.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Phendimetrazine hydrochloride
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CID 853161

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-1-phenylpropan-2-yl)-N-methylformamide?
The IUPAC name of N-(1-methoxy-1-phenylpropan-2-yl)-N-methylformamide (CID 145356517) is N-(1-methoxy-1-phenylpropan-2-yl)-N-methylformamide.
What is the SMILES notation for N-(1-methoxy-1-phenylpropan-2-yl)-N-methylformamide?
The canonical SMILES for N-(1-methoxy-1-phenylpropan-2-yl)-N-methylformamide is COC(c1ccccc1)C(C)N(C)C=O.
What is the InChIKey of N-(1-methoxy-1-phenylpropan-2-yl)-N-methylformamide?
The InChIKey is FBNWZAKOQFTEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10(13(2)9-14)12(15-3)11-7-5-4-6-8-11/h4-10,12H,1-3H3.
What are the key properties of N-(1-methoxy-1-phenylpropan-2-yl)-N-methylformamide?
N-(1-methoxy-1-phenylpropan-2-yl)-N-methylformamide has a molecular weight of 207.27 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-1-phenylpropan-2-yl)-N-methylformamide is sourced from PubChem (CID 145356517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).