N-(2-pentoxy-5-phenylphenyl)formamide

C18H21NO2 — CID 168653759

IUPACN-(2-pentoxy-5-phenylphenyl)formamide
SMILESCCCCCOc1ccc(-c2ccccc2)cc1NC=O
InChIInChI=1S/C18H21NO2/c1-2-3-7-12-21-18-11-10-16(13-17(18)19-14-20)15-8-5-4-6-9-15/h4-6,8-11,13-14H,2-3,7,12H2,1H3,(H,19,20)
InChIKeyTUVRDXYWHIJJOJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.49
Rot. Bonds8

About N-(2-pentoxy-5-phenylphenyl)formamide

N-(2-pentoxy-5-phenylphenyl)formamide (PubChem CID 168653759) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(2-pentoxy-5-phenylphenyl)formamide.

Molecular Properties

Compound NameN-(2-pentoxy-5-phenylphenyl)formamide
PubChem CID168653759
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-(2-pentoxy-5-phenylphenyl)formamide
SMILESCCCCCOc1ccc(-c2ccccc2)cc1NC=O
InChIInChI=1S/C18H21NO2/c1-2-3-7-12-21-18-11-10-16(13-17(18)19-14-20)15-8-5-4-6-9-15/h4-6,8-11,13-14H,2-3,7,12H2,1H3,(H,19,20)
InChIKeyTUVRDXYWHIJJOJ-UHFFFAOYSA-N
XLogP4.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-octoxy-4-phenylbenzene
CID 23393452
4-(3-acetamido-4-octoxyphenyl)benzoic acid
CID 22131797
5-(2-pentoxy-5-phenylphenyl)furan-2-carbaldehyde
CID 169333530
2-butoxy-5-phenylaniline
CID 54853554
4-(3,4-dipentoxyphenyl)-1,2-dipentoxybenzene
CID 11409401
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
N-[2-(2-chloro-4-phenylphenoxy)ethyl]butan-1-amine
CID 63506720
4-(3,4-dihexoxyphenyl)-1,2-dihexoxybenzene
CID 14937397
1-pentoxy-4-phenylbenzene
CID 7021155
N-[2-(4-phenylbutoxy)phenyl]formamide
CID 150186708
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
methyl 3-formamido-4-propoxybenzoate
CID 135191960

Frequently Asked Questions

What is the IUPAC name of N-(2-pentoxy-5-phenylphenyl)formamide?
The IUPAC name of N-(2-pentoxy-5-phenylphenyl)formamide (CID 168653759) is N-(2-pentoxy-5-phenylphenyl)formamide.
What is the SMILES notation for N-(2-pentoxy-5-phenylphenyl)formamide?
The canonical SMILES for N-(2-pentoxy-5-phenylphenyl)formamide is CCCCCOc1ccc(-c2ccccc2)cc1NC=O.
What is the InChIKey of N-(2-pentoxy-5-phenylphenyl)formamide?
The InChIKey is TUVRDXYWHIJJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-3-7-12-21-18-11-10-16(13-17(18)19-14-20)15-8-5-4-6-9-15/h4-6,8-11,13-14H,2-3,7,12H2,1H3,(H,19,20).
What are the key properties of N-(2-pentoxy-5-phenylphenyl)formamide?
N-(2-pentoxy-5-phenylphenyl)formamide has a molecular weight of 283.37 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pentoxy-5-phenylphenyl)formamide is sourced from PubChem (CID 168653759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).