N-[4-(butan-2-yloxymethyl)phenyl]formamide

C12H17NO2 — CID 123995408

IUPACN-[4-(butan-2-yloxymethyl)phenyl]formamide
SMILESCCC(C)OCc1ccc(NC=O)cc1
InChIInChI=1S/C12H17NO2/c1-3-10(2)15-8-11-4-6-12(7-5-11)13-9-14/h4-7,9-10H,3,8H2,1-2H3,(H,13,14)
InChIKeyKHLZWEQHRGOVHW-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.57
Rot. Bonds6

About N-[4-(butan-2-yloxymethyl)phenyl]formamide

N-[4-(butan-2-yloxymethyl)phenyl]formamide (PubChem CID 123995408) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[4-(butan-2-yloxymethyl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(butan-2-yloxymethyl)phenyl]formamide
PubChem CID123995408
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[4-(butan-2-yloxymethyl)phenyl]formamide
SMILESCCC(C)OCc1ccc(NC=O)cc1
InChIInChI=1S/C12H17NO2/c1-3-10(2)15-8-11-4-6-12(7-5-11)13-9-14/h4-7,9-10H,3,8H2,1-2H3,(H,13,14)
InChIKeyKHLZWEQHRGOVHW-UHFFFAOYSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(propoxymethyl)phenyl]formamide
CID 155742417
butan-2-yloxymethylbenzene;ethane
CID 161043537
N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-1-amine
CID 105350634
N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-2-amine
CID 105350633
1-(butan-2-yloxymethyl)-3,5-difluorobenzene
CID 169144381
N-butan-2-yl-4-(propan-2-yloxymethyl)aniline
CID 115919101
2-(4-formamidophenyl)ethaneperoxoic acid
CID 58762024
methyl 2-(4-formamidophenyl)propanoate
CID 11356229
N-[4-(1-aminopropan-2-yl)phenyl]formamide
CID 178094530
ethane;N-ethyl-4-(propan-2-yloxymethyl)aniline
CID 176948818
methyl 4-(butan-2-yloxymethyl)-2-fluorobenzoate
CID 106698392
2-butan-2-yloxycarbonyl-3-(4-fluoroanilino)prop-2-enoic acid
CID 66815516

Frequently Asked Questions

What is the IUPAC name of N-[4-(butan-2-yloxymethyl)phenyl]formamide?
The IUPAC name of N-[4-(butan-2-yloxymethyl)phenyl]formamide (CID 123995408) is N-[4-(butan-2-yloxymethyl)phenyl]formamide.
What is the SMILES notation for N-[4-(butan-2-yloxymethyl)phenyl]formamide?
The canonical SMILES for N-[4-(butan-2-yloxymethyl)phenyl]formamide is CCC(C)OCc1ccc(NC=O)cc1.
What is the InChIKey of N-[4-(butan-2-yloxymethyl)phenyl]formamide?
The InChIKey is KHLZWEQHRGOVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-10(2)15-8-11-4-6-12(7-5-11)13-9-14/h4-7,9-10H,3,8H2,1-2H3,(H,13,14).
What are the key properties of N-[4-(butan-2-yloxymethyl)phenyl]formamide?
N-[4-(butan-2-yloxymethyl)phenyl]formamide has a molecular weight of 207.27 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butan-2-yloxymethyl)phenyl]formamide is sourced from PubChem (CID 123995408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).