N-(3-amino-3-oxopropyl)-4-(2-phenoxyethoxy)-N-(2-phenylethyl)benzamide

C26H28N2O4 — CID 54789845

IUPACN-(3-amino-3-oxopropyl)-4-(2-phenoxyethoxy)-N-(2-phenylethyl)benzamide
SMILESNC(=O)CCN(CCc1ccccc1)C(=O)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C26H28N2O4/c27-25(29)16-18-28(17-15-21-7-3-1-4-8-21)26(30)22-11-13-24(14-12-22)32-20-19-31-23-9-5-2-6-10-23/h1-14H,15-20H2,(H2,27,29)
InChIKeyDFJFKWUVYMJFNG-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.70
Rot. Bonds12

About N-(3-amino-3-oxopropyl)-4-(2-phenoxyethoxy)-N-(2-phenylethyl)benzamide

N-(3-amino-3-oxopropyl)-4-(2-phenoxyethoxy)-N-(2-phenylethyl)benzamide (PubChem CID 54789845) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-4-(2-phenoxyethoxy)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-4-(2-phenoxyethoxy)-N-(2-phenylethyl)benzamide
PubChem CID54789845
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC NameN-(3-amino-3-oxopropyl)-4-(2-phenoxyethoxy)-N-(2-phenylethyl)benzamide
SMILESNC(=O)CCN(CCc1ccccc1)C(=O)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C26H28N2O4/c27-25(29)16-18-28(17-15-21-7-3-1-4-8-21)26(30)22-11-13-24(14-12-22)32-20-19-31-23-9-5-2-6-10-23/h1-14H,15-20H2,(H2,27,29)
InChIKeyDFJFKWUVYMJFNG-UHFFFAOYSA-N
XLogP3.70
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-oxopropyl)-N-(2-phenylethyl)-3-propoxybenzamide
CID 54789581
1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
CID 28642997
N-(2-aminoethyl)-4-ethoxy-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885321
2-[(4-ethoxybenzoyl)-(2-phenylethyl)amino]acetic acid
CID 119347170
4-(4-phenylbutoxy)benzamide
CID 11963163
4-(5-phenylpentoxy)benzamide
CID 142267536
ethyl 3-[benzyl-(4-propoxybenzoyl)amino]propanoate
CID 43910678
N-benzyl-N-[2-[benzyl-(4-propoxybenzoyl)amino]ethyl]-4-propoxybenzamide
CID 4939619
4-butoxy-N-(furan-2-ylmethyl)-N-(2-phenylethyl)benzamide
CID 42773272
N-(3-amino-3-oxopropyl)-2-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide
CID 54789701
N-(3-amino-3-oxopropyl)-2-(2-methylpropoxy)-N-(2-phenylethyl)benzamide
CID 54789698
N,N-dimethyl-4-(2-phenoxyethoxy)benzamide
CID 28639806

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-4-(2-phenoxyethoxy)-N-(2-phenylethyl)benzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-4-(2-phenoxyethoxy)-N-(2-phenylethyl)benzamide (CID 54789845) is N-(3-amino-3-oxopropyl)-4-(2-phenoxyethoxy)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-4-(2-phenoxyethoxy)-N-(2-phenylethyl)benzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-4-(2-phenoxyethoxy)-N-(2-phenylethyl)benzamide is NC(=O)CCN(CCc1ccccc1)C(=O)c1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-4-(2-phenoxyethoxy)-N-(2-phenylethyl)benzamide?
The InChIKey is DFJFKWUVYMJFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c27-25(29)16-18-28(17-15-21-7-3-1-4-8-21)26(30)22-11-13-24(14-12-22)32-20-19-31-23-9-5-2-6-10-23/h1-14H,15-20H2,(H2,27,29).
What are the key properties of N-(3-amino-3-oxopropyl)-4-(2-phenoxyethoxy)-N-(2-phenylethyl)benzamide?
N-(3-amino-3-oxopropyl)-4-(2-phenoxyethoxy)-N-(2-phenylethyl)benzamide has a molecular weight of 432.52 g/mol, XLogP of 3.70, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-4-(2-phenoxyethoxy)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 54789845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).