methane;N-(2-phenylethyl)formamide

C10H15NO — CID 143644399

IUPACmethane;N-(2-phenylethyl)formamide
SMILESC.O=CNCCc1ccccc1
InChIInChI=1S/C9H11NO.CH4/c11-8-10-7-6-9-4-2-1-3-5-9;/h1-5,8H,6-7H2,(H,10,11);1H4
InChIKeyAUBNSCIEOWQHTA-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.61
Rot. Bonds4

About methane;N-(2-phenylethyl)formamide

methane;N-(2-phenylethyl)formamide (PubChem CID 143644399) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is methane;N-(2-phenylethyl)formamide.

Molecular Properties

Compound Namemethane;N-(2-phenylethyl)formamide
PubChem CID143644399
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Namemethane;N-(2-phenylethyl)formamide
SMILESC.O=CNCCc1ccccc1
InChIInChI=1S/C9H11NO.CH4/c11-8-10-7-6-9-4-2-1-3-5-9;/h1-5,8H,6-7H2,(H,10,11);1H4
InChIKeyAUBNSCIEOWQHTA-UHFFFAOYSA-N
XLogP1.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze methane;N-(2-phenylethyl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethanamine;N-(2-phenylethyl)formamide;propane
CID 143077311
N-(6-phenylhexyl)formamide
CID 25180077
N-[3-(2-phenylethylcarbamoylamino)propyl]formamide
CID 108888088
N-(4-oxobutyl)formamide;2-phenylethanol
CID 175298453
N-(2-naphthalen-2-ylethyl)formamide
CID 12581518
N-benzylformamide
CID 139060556
N,N'-bis(2-phenylethyl)heptane-1,7-diamine;dihydrobromide
CID 3028511
N,N'-bis(2-phenylethyl)octane-1,8-diamine;dihydrobromide
CID 3029610
N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]formamide
CID 2992201
N-[2-(4-nitrophenyl)ethyl]formamide
CID 64992334
N-(2-phenylethyl)prop-2-en-1-amine;hydrate
CID 174367683
3,4-dihydro-1H-isoquinoline-2-carbaldehyde;methanol;N-(2-phenylethyl)formamide;1,2,3,4-tetrahydronaphthalene
CID 159631902

Frequently Asked Questions

What is the IUPAC name of methane;N-(2-phenylethyl)formamide?
The IUPAC name of methane;N-(2-phenylethyl)formamide (CID 143644399) is methane;N-(2-phenylethyl)formamide.
What is the SMILES notation for methane;N-(2-phenylethyl)formamide?
The canonical SMILES for methane;N-(2-phenylethyl)formamide is C.O=CNCCc1ccccc1.
What is the InChIKey of methane;N-(2-phenylethyl)formamide?
The InChIKey is AUBNSCIEOWQHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.CH4/c11-8-10-7-6-9-4-2-1-3-5-9;/h1-5,8H,6-7H2,(H,10,11);1H4.
What are the key properties of methane;N-(2-phenylethyl)formamide?
methane;N-(2-phenylethyl)formamide has a molecular weight of 165.24 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-(2-phenylethyl)formamide is sourced from PubChem (CID 143644399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).