N-(3-aminopropyl)-N-[(3-methoxyphenyl)methyl]-2-phenylmethoxybenzamide

C25H28N2O3 — CID 143404934

IUPACN-(3-aminopropyl)-N-[(3-methoxyphenyl)methyl]-2-phenylmethoxybenzamide
SMILESCOc1cccc(CN(CCCN)C(=O)c2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C25H28N2O3/c1-29-22-12-7-11-21(17-22)18-27(16-8-15-26)25(28)23-13-5-6-14-24(23)30-19-20-9-3-2-4-10-20/h2-7,9-14,17H,8,15-16,18-19,26H2,1H3
InChIKeyCLDRACAFGUFYPF-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.27
Rot. Bonds10

About N-(3-aminopropyl)-N-[(3-methoxyphenyl)methyl]-2-phenylmethoxybenzamide

N-(3-aminopropyl)-N-[(3-methoxyphenyl)methyl]-2-phenylmethoxybenzamide (PubChem CID 143404934) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[(3-methoxyphenyl)methyl]-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[(3-methoxyphenyl)methyl]-2-phenylmethoxybenzamide
PubChem CID143404934
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC NameN-(3-aminopropyl)-N-[(3-methoxyphenyl)methyl]-2-phenylmethoxybenzamide
SMILESCOc1cccc(CN(CCCN)C(=O)c2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C25H28N2O3/c1-29-22-12-7-11-21(17-22)18-27(16-8-15-26)25(28)23-13-5-6-14-24(23)30-19-20-9-3-2-4-10-20/h2-7,9-14,17H,8,15-16,18-19,26H2,1H3
InChIKeyCLDRACAFGUFYPF-UHFFFAOYSA-N
XLogP4.27
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-methylthiophen-2-yl)methyl]-2-phenylmethoxybenzamide
CID 71214568
N-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-2-[(3-methylphenyl)methoxy]benzamide
CID 71214650
N-(3-aminopropyl)-3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]-4-phenylmethoxybenzamide
CID 143404891
N-(3-aminopropyl)-2-phenylmethoxy-N-[(2,3,6-trichlorophenyl)methyl]benzamide
CID 71214509
methyl 2-[2-[(2-amino-2-oxoethyl)-[(3-methoxyphenyl)methyl]carbamoyl]phenoxy]acetate
CID 144888078
N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
CID 120649276
N-(3-aminopropyl)-N-[[2-[(4-chlorophenyl)methylsulfanyl]phenyl]methyl]-2-phenylmethoxybenzamide
CID 71214627
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040
3-methoxy-N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42725516
N-(3-aminopropyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(2-phenylethyl)benzamide
CID 71214522

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[(3-methoxyphenyl)methyl]-2-phenylmethoxybenzamide?
The IUPAC name of N-(3-aminopropyl)-N-[(3-methoxyphenyl)methyl]-2-phenylmethoxybenzamide (CID 143404934) is N-(3-aminopropyl)-N-[(3-methoxyphenyl)methyl]-2-phenylmethoxybenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[(3-methoxyphenyl)methyl]-2-phenylmethoxybenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-[(3-methoxyphenyl)methyl]-2-phenylmethoxybenzamide is COc1cccc(CN(CCCN)C(=O)c2ccccc2OCc2ccccc2)c1.
What is the InChIKey of N-(3-aminopropyl)-N-[(3-methoxyphenyl)methyl]-2-phenylmethoxybenzamide?
The InChIKey is CLDRACAFGUFYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-29-22-12-7-11-21(17-22)18-27(16-8-15-26)25(28)23-13-5-6-14-24(23)30-19-20-9-3-2-4-10-20/h2-7,9-14,17H,8,15-16,18-19,26H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-[(3-methoxyphenyl)methyl]-2-phenylmethoxybenzamide?
N-(3-aminopropyl)-N-[(3-methoxyphenyl)methyl]-2-phenylmethoxybenzamide has a molecular weight of 404.51 g/mol, XLogP of 4.27, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[(3-methoxyphenyl)methyl]-2-phenylmethoxybenzamide is sourced from PubChem (CID 143404934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).