N-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide

C19H23N3O3 — CID 82034361

IUPACN-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide
SMILESNCCC(=O)Nc1ccccc1NC(=O)CCCOc1ccccc1
InChIInChI=1S/C19H23N3O3/c20-13-12-19(24)22-17-10-5-4-9-16(17)21-18(23)11-6-14-25-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14,20H2,(H,21,23)(H,22,24)
InChIKeyFFXHXXQTUASKIX-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.77
Rot. Bonds9

About N-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide

N-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide (PubChem CID 82034361) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide
PubChem CID82034361
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide
SMILESNCCC(=O)Nc1ccccc1NC(=O)CCCOc1ccccc1
InChIInChI=1S/C19H23N3O3/c20-13-12-19(24)22-17-10-5-4-9-16(17)21-18(23)11-6-14-25-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14,20H2,(H,21,23)(H,22,24)
InChIKeyFFXHXXQTUASKIX-UHFFFAOYSA-N
XLogP2.77
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-3-phenoxypropanamide
CID 16790214
N,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide
CID 17131186
N-(2-amino-5-chlorophenyl)-4-phenoxybutanamide
CID 28515757
N,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide
CID 17130993
N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide
CID 18071037
N-(2-aminophenyl)-4-(4-iodophenoxy)butanamide
CID 43327303
N-[2-(difluoromethylsulfanyl)phenyl]-4-phenoxybutanamide
CID 112766444
5-oxo-5-[2-(2-phenoxyethoxy)anilino]pentanoic acid
CID 17130914
tert-butyl N-[2-oxo-2-[2-(4-phenoxybutanoylamino)anilino]ethyl]carbamate
CID 108917353
N-(2-iodophenyl)-3-phenoxypropanamide
CID 26087738
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619
4-hydroxy-3-(4-phenoxybutanoylamino)benzoic acid
CID 108753979

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide?
The IUPAC name of N-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide (CID 82034361) is N-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide?
The canonical SMILES for N-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide is NCCC(=O)Nc1ccccc1NC(=O)CCCOc1ccccc1.
What is the InChIKey of N-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide?
The InChIKey is FFXHXXQTUASKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c20-13-12-19(24)22-17-10-5-4-9-16(17)21-18(23)11-6-14-25-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14,20H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide?
N-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide has a molecular weight of 341.41 g/mol, XLogP of 2.77, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide is sourced from PubChem (CID 82034361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).