N-[2-(4-aminophenyl)propan-2-yl]-N-phenylformamide

C16H18N2O — CID 58757780

IUPACN-[2-(4-aminophenyl)propan-2-yl]-N-phenylformamide
SMILESCC(C)(c1ccc(N)cc1)N(C=O)c1ccccc1
InChIInChI=1S/C16H18N2O/c1-16(2,13-8-10-14(17)11-9-13)18(12-19)15-6-4-3-5-7-15/h3-12H,17H2,1-2H3
InChIKeyDSINRCFAJWFPCM-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.17
Rot. Bonds4

About N-[2-(4-aminophenyl)propan-2-yl]-N-phenylformamide

N-[2-(4-aminophenyl)propan-2-yl]-N-phenylformamide (PubChem CID 58757780) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)propan-2-yl]-N-phenylformamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)propan-2-yl]-N-phenylformamide
PubChem CID58757780
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[2-(4-aminophenyl)propan-2-yl]-N-phenylformamide
SMILESCC(C)(c1ccc(N)cc1)N(C=O)c1ccccc1
InChIInChI=1S/C16H18N2O/c1-16(2,13-8-10-14(17)11-9-13)18(12-19)15-6-4-3-5-7-15/h3-12H,17H2,1-2H3
InChIKeyDSINRCFAJWFPCM-UHFFFAOYSA-N
XLogP3.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)propan-2-yl]-N-phenylformamide?
The IUPAC name of N-[2-(4-aminophenyl)propan-2-yl]-N-phenylformamide (CID 58757780) is N-[2-(4-aminophenyl)propan-2-yl]-N-phenylformamide.
What is the SMILES notation for N-[2-(4-aminophenyl)propan-2-yl]-N-phenylformamide?
The canonical SMILES for N-[2-(4-aminophenyl)propan-2-yl]-N-phenylformamide is CC(C)(c1ccc(N)cc1)N(C=O)c1ccccc1.
What is the InChIKey of N-[2-(4-aminophenyl)propan-2-yl]-N-phenylformamide?
The InChIKey is DSINRCFAJWFPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-16(2,13-8-10-14(17)11-9-13)18(12-19)15-6-4-3-5-7-15/h3-12H,17H2,1-2H3.
What are the key properties of N-[2-(4-aminophenyl)propan-2-yl]-N-phenylformamide?
N-[2-(4-aminophenyl)propan-2-yl]-N-phenylformamide has a molecular weight of 254.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)propan-2-yl]-N-phenylformamide is sourced from PubChem (CID 58757780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).