N-(3-aminopropyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(2-phenylethyl)benzamide

C32H33FN2O2 — CID 71214522

IUPACN-(3-aminopropyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(2-phenylethyl)benzamide
SMILESNCCCN(Cc1ccc(OCc2ccc(F)cc2)cc1)C(=O)c1ccccc1CCc1ccccc1
InChIInChI=1S/C32H33FN2O2/c33-29-17-12-27(13-18-29)24-37-30-19-14-26(15-20-30)23-35(22-6-21-34)32(36)31-10-5-4-9-28(31)16-11-25-7-2-1-3-8-25/h1-5,7-10,12-15,17-20H,6,11,16,21-24,34H2
InChIKeyGBCINTPRRHOCQV-UHFFFAOYSA-N
MW496.63 g/mol
LogP6.18
Rot. Bonds12

About N-(3-aminopropyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(2-phenylethyl)benzamide

N-(3-aminopropyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(2-phenylethyl)benzamide (PubChem CID 71214522) has the molecular formula C32H33FN2O2 and a molecular weight of 496.63 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(2-phenylethyl)benzamide
PubChem CID71214522
Molecular FormulaC32H33FN2O2
Molecular Weight496.63 g/mol
Exact Mass496.25
IUPAC NameN-(3-aminopropyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(2-phenylethyl)benzamide
SMILESNCCCN(Cc1ccc(OCc2ccc(F)cc2)cc1)C(=O)c1ccccc1CCc1ccccc1
InChIInChI=1S/C32H33FN2O2/c33-29-17-12-27(13-18-29)24-37-30-19-14-26(15-20-30)23-35(22-6-21-34)32(36)31-10-5-4-9-28(31)16-11-25-7-2-1-3-8-25/h1-5,7-10,12-15,17-20H,6,11,16,21-24,34H2
InChIKeyGBCINTPRRHOCQV-UHFFFAOYSA-N
XLogP6.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.63
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-2-[(3-methylphenyl)methoxy]benzamide
CID 71214650
methyl 4-[[3-aminopropyl-(2-phenylmethoxybenzoyl)amino]methyl]benzoate
CID 143404942
N-(3-aminopropyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylmethoxybenzamide
CID 71214624
N-(3-aminopropyl)-N-[(3-methoxyphenyl)methyl]-2-phenylmethoxybenzamide
CID 143404934
4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 42698598
N-[2-(4-fluorophenyl)ethyl]-2-(phenoxymethyl)benzamide
CID 32979164
N-(3-aminopropyl)-N-[[2-[(4-chlorophenyl)methylsulfanyl]phenyl]methyl]-2-phenylmethoxybenzamide
CID 71214627
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
N-(3-aminopropyl)-2-phenylmethoxy-N-[(2,3,6-trichlorophenyl)methyl]benzamide
CID 71214509
N-[5-(2-aminoethyl)nonan-5-yl]-4-pentyl-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 70022493
2-[2-(4-fluorophenyl)ethyl]benzoic acid
CID 22015801

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(2-phenylethyl)benzamide?
The IUPAC name of N-(3-aminopropyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(2-phenylethyl)benzamide (CID 71214522) is N-(3-aminopropyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(2-phenylethyl)benzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(2-phenylethyl)benzamide?
The canonical SMILES for N-(3-aminopropyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(2-phenylethyl)benzamide is NCCCN(Cc1ccc(OCc2ccc(F)cc2)cc1)C(=O)c1ccccc1CCc1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(2-phenylethyl)benzamide?
The InChIKey is GBCINTPRRHOCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN2O2/c33-29-17-12-27(13-18-29)24-37-30-19-14-26(15-20-30)23-35(22-6-21-34)32(36)31-10-5-4-9-28(31)16-11-25-7-2-1-3-8-25/h1-5,7-10,12-15,17-20H,6,11,16,21-24,34H2.
What are the key properties of N-(3-aminopropyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(2-phenylethyl)benzamide?
N-(3-aminopropyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(2-phenylethyl)benzamide has a molecular weight of 496.63 g/mol, XLogP of 6.18, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(2-phenylethyl)benzamide is sourced from PubChem (CID 71214522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).