N-pentyl-N-phenylmethoxyformamide

C13H19NO2 — CID 88956477

IUPACN-pentyl-N-phenylmethoxyformamide
SMILESCCCCCN(C=O)OCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-2-3-7-10-14(12-15)16-11-13-8-5-4-6-9-13/h4-6,8-9,12H,2-3,7,10-11H2,1H3
InChIKeyPHZLFUNOCZMETM-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.77
Rot. Bonds8

About N-pentyl-N-phenylmethoxyformamide

N-pentyl-N-phenylmethoxyformamide (PubChem CID 88956477) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-pentyl-N-phenylmethoxyformamide.

Molecular Properties

Compound NameN-pentyl-N-phenylmethoxyformamide
PubChem CID88956477
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-pentyl-N-phenylmethoxyformamide
SMILESCCCCCN(C=O)OCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-2-3-7-10-14(12-15)16-11-13-8-5-4-6-9-13/h4-6,8-9,12H,2-3,7,10-11H2,1H3
InChIKeyPHZLFUNOCZMETM-UHFFFAOYSA-N
XLogP2.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxybutyl)-N-phenylmethoxyformamide
CID 87139283
N-(8-hydroxyoctyl)-N-phenylmethoxyformamide
CID 57042155
methyl 7-[formyl(phenylmethoxy)amino]-3-oxo-2-phenylheptanoate
CID 57082601
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-phenylmethoxyformamide
CID 57164211
N-[[formyl(phenylmethoxy)amino]methyl]decanamide
CID 54293810
2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid
CID 22256535
4-[formyl(phenylmethoxy)amino]-2-hydroxybutanoic acid
CID 21475226
N-methyl-N-phenylmethoxyformamide
CID 57089495
1,1-dimethyl-3-octyl-3-phenylmethoxyurea
CID 14227207
N-(3-diethoxyphosphoryl-3-phenylpropyl)-N-phenylmethoxyformamide
CID 11315702
[4-[formyl(phenylmethoxy)amino]-2-methyl-1-phosphonobutyl]phosphonic acid
CID 90923448
(2,3,4,5,6-pentafluorophenyl) 2-[[formyl(phenylmethoxy)amino]methyl]hexanoate
CID 22096238

Frequently Asked Questions

What is the IUPAC name of N-pentyl-N-phenylmethoxyformamide?
The IUPAC name of N-pentyl-N-phenylmethoxyformamide (CID 88956477) is N-pentyl-N-phenylmethoxyformamide.
What is the SMILES notation for N-pentyl-N-phenylmethoxyformamide?
The canonical SMILES for N-pentyl-N-phenylmethoxyformamide is CCCCCN(C=O)OCc1ccccc1.
What is the InChIKey of N-pentyl-N-phenylmethoxyformamide?
The InChIKey is PHZLFUNOCZMETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-3-7-10-14(12-15)16-11-13-8-5-4-6-9-13/h4-6,8-9,12H,2-3,7,10-11H2,1H3.
What are the key properties of N-pentyl-N-phenylmethoxyformamide?
N-pentyl-N-phenylmethoxyformamide has a molecular weight of 221.30 g/mol, XLogP of 2.77, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-N-phenylmethoxyformamide is sourced from PubChem (CID 88956477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).