N-[4-(phenoxymethyl)octan-3-yl]formamide

C16H25NO2 — CID 174780944

IUPACN-[4-(phenoxymethyl)octan-3-yl]formamide
SMILESCCCCC(COc1ccccc1)C(CC)NC=O
InChIInChI=1S/C16H25NO2/c1-3-5-9-14(16(4-2)17-13-18)12-19-15-10-7-6-8-11-15/h6-8,10-11,13-14,16H,3-5,9,12H2,1-2H3,(H,17,18)
InChIKeyIGLZWGWYTGPAGH-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.40
Rot. Bonds10

About N-[4-(phenoxymethyl)octan-3-yl]formamide

N-[4-(phenoxymethyl)octan-3-yl]formamide (PubChem CID 174780944) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[4-(phenoxymethyl)octan-3-yl]formamide.

Molecular Properties

Compound NameN-[4-(phenoxymethyl)octan-3-yl]formamide
PubChem CID174780944
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[4-(phenoxymethyl)octan-3-yl]formamide
SMILESCCCCC(COc1ccccc1)C(CC)NC=O
InChIInChI=1S/C16H25NO2/c1-3-5-9-14(16(4-2)17-13-18)12-19-15-10-7-6-8-11-15/h6-8,10-11,13-14,16H,3-5,9,12H2,1-2H3,(H,17,18)
InChIKeyIGLZWGWYTGPAGH-UHFFFAOYSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.40
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-(2-ethyl-1-phenylhexyl)formamide
CID 138546224
[(E)-5-ethyl-2-fluoronon-3-enoxy]benzene
CID 143381408
2-methylprop-1-ene;1-phenoxyhexan-2-yl formate
CID 142355266
1-formamidopentyl(phenoxy)phosphinic acid
CID 100946120
N,3-dimethyl-1-phenoxyhexan-2-amine
CID 107893778
4-ethyl-1-phenoxyoctan-2-amine
CID 63416527
butoxybenzene;propanal
CID 174367271
1-phenoxyheptan-2-ol
CID 12731443
N-methyl-1-phenoxynonan-2-amine
CID 63416660
2-ethylhexoxybenzene;methoxyboronic acid
CID 23293414
butoxybenzene;methyl formate
CID 174933114
1-phenoxytetradecan-2-ol
CID 11609222

Frequently Asked Questions

What is the IUPAC name of N-[4-(phenoxymethyl)octan-3-yl]formamide?
The IUPAC name of N-[4-(phenoxymethyl)octan-3-yl]formamide (CID 174780944) is N-[4-(phenoxymethyl)octan-3-yl]formamide.
What is the SMILES notation for N-[4-(phenoxymethyl)octan-3-yl]formamide?
The canonical SMILES for N-[4-(phenoxymethyl)octan-3-yl]formamide is CCCCC(COc1ccccc1)C(CC)NC=O.
What is the InChIKey of N-[4-(phenoxymethyl)octan-3-yl]formamide?
The InChIKey is IGLZWGWYTGPAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-5-9-14(16(4-2)17-13-18)12-19-15-10-7-6-8-11-15/h6-8,10-11,13-14,16H,3-5,9,12H2,1-2H3,(H,17,18).
What are the key properties of N-[4-(phenoxymethyl)octan-3-yl]formamide?
N-[4-(phenoxymethyl)octan-3-yl]formamide has a molecular weight of 263.38 g/mol, XLogP of 3.40, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(phenoxymethyl)octan-3-yl]formamide is sourced from PubChem (CID 174780944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).