N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]formamide

C13H19NO2 — CID 110477125

IUPACN-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]formamide
SMILESCC(C)(C)Oc1ccccc1CCNC=O
InChIInChI=1S/C13H19NO2/c1-13(2,3)16-12-7-5-4-6-11(12)8-9-14-10-15/h4-7,10H,8-9H2,1-3H3,(H,14,15)
InChIKeyJFALUXCKLVMIEI-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.15
Rot. Bonds5

About N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]formamide

N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]formamide (PubChem CID 110477125) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]formamide
PubChem CID110477125
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]formamide
SMILESCC(C)(C)Oc1ccccc1CCNC=O
InChIInChI=1S/C13H19NO2/c1-13(2,3)16-12-7-5-4-6-11(12)8-9-14-10-15/h4-7,10H,8-9H2,1-3H3,(H,14,15)
InChIKeyJFALUXCKLVMIEI-UHFFFAOYSA-N
XLogP2.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]carbamate
CID 110477722
N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]methyl]formamide
CID 145164338
N-[2-[2-(2,3-dimethoxyphenyl)ethylamino]ethyl]formamide
CID 163403698
2,2-dimethyl-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide
CID 110444704
N-[2-[5-amino-2-[(2-methylpropan-2-yl)oxymethyl]phenyl]ethyl]formamide
CID 166490078
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-phenylacetamide
CID 110442352
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-phenylpropanamide
CID 110441563
tert-butyl 3-[2-(2-methoxyphenyl)ethylamino]propanoate
CID 106261776
1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 70896653
ethyl N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamate
CID 110445074
2-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]aniline
CID 82538614
1-(2-chloroethyl)-2-(trifluoromethoxy)benzene
CID 53433961

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]formamide?
The IUPAC name of N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]formamide (CID 110477125) is N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]formamide.
What is the SMILES notation for N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]formamide?
The canonical SMILES for N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]formamide is CC(C)(C)Oc1ccccc1CCNC=O.
What is the InChIKey of N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]formamide?
The InChIKey is JFALUXCKLVMIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2,3)16-12-7-5-4-6-11(12)8-9-14-10-15/h4-7,10H,8-9H2,1-3H3,(H,14,15).
What are the key properties of N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]formamide?
N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]formamide has a molecular weight of 221.30 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]formamide is sourced from PubChem (CID 110477125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).