N-(3-cyano-4-propan-2-yloxyphenyl)formamide

C11H12N2O2 — CID 169157316

IUPACN-(3-cyano-4-propan-2-yloxyphenyl)formamide
SMILESCC(C)Oc1ccc(NC=O)cc1C#N
InChIInChI=1S/C11H12N2O2/c1-8(2)15-11-4-3-10(13-7-14)5-9(11)6-12/h3-5,7-8H,1-2H3,(H,13,14)
InChIKeyYWWCIFIFBRNHAD-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.91
Rot. Bonds4

About N-(3-cyano-4-propan-2-yloxyphenyl)formamide

N-(3-cyano-4-propan-2-yloxyphenyl)formamide (PubChem CID 169157316) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is N-(3-cyano-4-propan-2-yloxyphenyl)formamide.

Molecular Properties

Compound NameN-(3-cyano-4-propan-2-yloxyphenyl)formamide
PubChem CID169157316
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC NameN-(3-cyano-4-propan-2-yloxyphenyl)formamide
SMILESCC(C)Oc1ccc(NC=O)cc1C#N
InChIInChI=1S/C11H12N2O2/c1-8(2)15-11-4-3-10(13-7-14)5-9(11)6-12/h3-5,7-8H,1-2H3,(H,13,14)
InChIKeyYWWCIFIFBRNHAD-UHFFFAOYSA-N
XLogP1.91
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.91
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-[(3-cyano-4-propan-2-yloxyphenyl)carbamoyl]benzoic acid
CID 85471400
4,5-di(propan-2-yloxy)benzene-1,2-dicarbonitrile
CID 141478282
5-amino-N-(3-cyano-4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 141478656
N-(3-cyano-4-propan-2-yloxyphenyl)-1-ethoxycyclopentane-1-carboxamide
CID 100761719
1-(3-cyano-4-propan-2-yloxyphenyl)-3-(1-methylpyrazol-3-yl)urea
CID 86799894
N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxycyclohexane-1-carboxamide
CID 99822738
4-amino-2-propan-2-yloxybenzonitrile
CID 131557509
5-(disulfanyl)-2-propan-2-yloxybenzonitrile
CID 123603788
3,5-dichloro-N-(3-cyano-4-propan-2-yloxyphenyl)-2-hydroxybenzenesulfonamide
CID 167899475
N-(3-cyano-4-propan-2-yloxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 133230029
5-(4-chlorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684056
(2S)-N-(3-cyano-4-propan-2-yloxyphenyl)-2-methoxy-2-methylhexanamide
CID 100754949

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-propan-2-yloxyphenyl)formamide?
The IUPAC name of N-(3-cyano-4-propan-2-yloxyphenyl)formamide (CID 169157316) is N-(3-cyano-4-propan-2-yloxyphenyl)formamide.
What is the SMILES notation for N-(3-cyano-4-propan-2-yloxyphenyl)formamide?
The canonical SMILES for N-(3-cyano-4-propan-2-yloxyphenyl)formamide is CC(C)Oc1ccc(NC=O)cc1C#N.
What is the InChIKey of N-(3-cyano-4-propan-2-yloxyphenyl)formamide?
The InChIKey is YWWCIFIFBRNHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8(2)15-11-4-3-10(13-7-14)5-9(11)6-12/h3-5,7-8H,1-2H3,(H,13,14).
What are the key properties of N-(3-cyano-4-propan-2-yloxyphenyl)formamide?
N-(3-cyano-4-propan-2-yloxyphenyl)formamide has a molecular weight of 204.23 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-propan-2-yloxyphenyl)formamide is sourced from PubChem (CID 169157316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).