N-[4-(3-hydroxypropyl)-2,6-dimethylphenyl]formamide

C12H17NO2 — CID 168944588

IUPACN-[4-(3-hydroxypropyl)-2,6-dimethylphenyl]formamide
SMILESCc1cc(CCCO)cc(C)c1NC=O
InChIInChI=1S/C12H17NO2/c1-9-6-11(4-3-5-14)7-10(2)12(9)13-8-15/h6-8,14H,3-5H2,1-2H3,(H,13,15)
InChIKeyNIEOSQYOOROWLV-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.80
Rot. Bonds5

About N-[4-(3-hydroxypropyl)-2,6-dimethylphenyl]formamide

N-[4-(3-hydroxypropyl)-2,6-dimethylphenyl]formamide (PubChem CID 168944588) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[4-(3-hydroxypropyl)-2,6-dimethylphenyl]formamide.

Molecular Properties

Compound NameN-[4-(3-hydroxypropyl)-2,6-dimethylphenyl]formamide
PubChem CID168944588
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[4-(3-hydroxypropyl)-2,6-dimethylphenyl]formamide
SMILESCc1cc(CCCO)cc(C)c1NC=O
InChIInChI=1S/C12H17NO2/c1-9-6-11(4-3-5-14)7-10(2)12(9)13-8-15/h6-8,14H,3-5H2,1-2H3,(H,13,15)
InChIKeyNIEOSQYOOROWLV-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxypropyl)-2,6-dimethylphenyl]formamide?
The IUPAC name of N-[4-(3-hydroxypropyl)-2,6-dimethylphenyl]formamide (CID 168944588) is N-[4-(3-hydroxypropyl)-2,6-dimethylphenyl]formamide.
What is the SMILES notation for N-[4-(3-hydroxypropyl)-2,6-dimethylphenyl]formamide?
The canonical SMILES for N-[4-(3-hydroxypropyl)-2,6-dimethylphenyl]formamide is Cc1cc(CCCO)cc(C)c1NC=O.
What is the InChIKey of N-[4-(3-hydroxypropyl)-2,6-dimethylphenyl]formamide?
The InChIKey is NIEOSQYOOROWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-6-11(4-3-5-14)7-10(2)12(9)13-8-15/h6-8,14H,3-5H2,1-2H3,(H,13,15).
What are the key properties of N-[4-(3-hydroxypropyl)-2,6-dimethylphenyl]formamide?
N-[4-(3-hydroxypropyl)-2,6-dimethylphenyl]formamide has a molecular weight of 207.27 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxypropyl)-2,6-dimethylphenyl]formamide is sourced from PubChem (CID 168944588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).