N-[4-(2-methylprop-2-enoxy)phenyl]formamide

C11H13NO2 — CID 10559618

IUPACN-[4-(2-methylprop-2-enoxy)phenyl]formamide
SMILESC=C(C)COc1ccc(NC=O)cc1
InChIInChI=1S/C11H13NO2/c1-9(2)7-14-11-5-3-10(4-6-11)12-8-13/h3-6,8H,1,7H2,2H3,(H,12,13)
InChIKeyQSDTUGRKCHTFDJ-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.21
Rot. Bonds5

About N-[4-(2-methylprop-2-enoxy)phenyl]formamide

N-[4-(2-methylprop-2-enoxy)phenyl]formamide (PubChem CID 10559618) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is N-[4-(2-methylprop-2-enoxy)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(2-methylprop-2-enoxy)phenyl]formamide
PubChem CID10559618
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC NameN-[4-(2-methylprop-2-enoxy)phenyl]formamide
SMILESC=C(C)COc1ccc(NC=O)cc1
InChIInChI=1S/C11H13NO2/c1-9(2)7-14-11-5-3-10(4-6-11)12-8-13/h3-6,8H,1,7H2,2H3,(H,12,13)
InChIKeyQSDTUGRKCHTFDJ-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-methylprop-2-enoxy)phenyl]cyclopropanecarboxamide
CID 17097627
tert-butyl N-[4-(2-methylprop-2-enoxy)phenyl]carbamate
CID 17097680
4-methoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097607
N-(4-prop-2-ynoxyphenyl)formamide
CID 130718440
CID 131845691
CID 131845691
N'-[4-(2-methylprop-2-enoxy)phenyl]butane-1,4-diamine
CID 117097538
(E)-3-(4-ethoxyphenyl)-N-[4-(2-methylprop-2-enoxy)phenyl]prop-2-enamide
CID 17227148
4-(2-methylprop-2-enoxy)-N-(4-propan-2-yloxyphenyl)benzamide
CID 17123815
[4-(2-methylprop-2-enoxy)phenyl]methanamine
CID 54793590
2-amino-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one
CID 82341494
N-[[4-(2-methylprop-2-enoxy)phenyl]carbamothioyl]hexanamide
CID 17097817
trifluoro-[4-(2-methylprop-2-enoxy)phenyl]boranuide
CID 63677686

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylprop-2-enoxy)phenyl]formamide?
The IUPAC name of N-[4-(2-methylprop-2-enoxy)phenyl]formamide (CID 10559618) is N-[4-(2-methylprop-2-enoxy)phenyl]formamide.
What is the SMILES notation for N-[4-(2-methylprop-2-enoxy)phenyl]formamide?
The canonical SMILES for N-[4-(2-methylprop-2-enoxy)phenyl]formamide is C=C(C)COc1ccc(NC=O)cc1.
What is the InChIKey of N-[4-(2-methylprop-2-enoxy)phenyl]formamide?
The InChIKey is QSDTUGRKCHTFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-9(2)7-14-11-5-3-10(4-6-11)12-8-13/h3-6,8H,1,7H2,2H3,(H,12,13).
What are the key properties of N-[4-(2-methylprop-2-enoxy)phenyl]formamide?
N-[4-(2-methylprop-2-enoxy)phenyl]formamide has a molecular weight of 191.23 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylprop-2-enoxy)phenyl]formamide is sourced from PubChem (CID 10559618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).