N-[3-amino-3-[(2-phenylacetyl)amino]propyl]-2-phenylacetamide

C19H23N3O2 — CID 171755707

IUPACN-[3-amino-3-[(2-phenylacetyl)amino]propyl]-2-phenylacetamide
SMILESNC(CCNC(=O)Cc1ccccc1)NC(=O)Cc1ccccc1
InChIInChI=1S/C19H23N3O2/c20-17(22-19(24)14-16-9-5-2-6-10-16)11-12-21-18(23)13-15-7-3-1-4-8-15/h1-10,17H,11-14,20H2,(H,21,23)(H,22,24)
InChIKeyAPUXRMPHAJAEIF-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.38
Rot. Bonds8

About N-[3-amino-3-[(2-phenylacetyl)amino]propyl]-2-phenylacetamide

N-[3-amino-3-[(2-phenylacetyl)amino]propyl]-2-phenylacetamide (PubChem CID 171755707) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[3-amino-3-[(2-phenylacetyl)amino]propyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-amino-3-[(2-phenylacetyl)amino]propyl]-2-phenylacetamide
PubChem CID171755707
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[3-amino-3-[(2-phenylacetyl)amino]propyl]-2-phenylacetamide
SMILESNC(CCNC(=O)Cc1ccccc1)NC(=O)Cc1ccccc1
InChIInChI=1S/C19H23N3O2/c20-17(22-19(24)14-16-9-5-2-6-10-16)11-12-21-18(23)13-15-7-3-1-4-8-15/h1-10,17H,11-14,20H2,(H,21,23)(H,22,24)
InChIKeyAPUXRMPHAJAEIF-UHFFFAOYSA-N
XLogP1.38
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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N-[(2S)-2-amino-3-methylbutyl]-2-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-3-[(2-phenylacetyl)amino]propyl]-2-phenylacetamide?
The IUPAC name of N-[3-amino-3-[(2-phenylacetyl)amino]propyl]-2-phenylacetamide (CID 171755707) is N-[3-amino-3-[(2-phenylacetyl)amino]propyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-amino-3-[(2-phenylacetyl)amino]propyl]-2-phenylacetamide?
The canonical SMILES for N-[3-amino-3-[(2-phenylacetyl)amino]propyl]-2-phenylacetamide is NC(CCNC(=O)Cc1ccccc1)NC(=O)Cc1ccccc1.
What is the InChIKey of N-[3-amino-3-[(2-phenylacetyl)amino]propyl]-2-phenylacetamide?
The InChIKey is APUXRMPHAJAEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c20-17(22-19(24)14-16-9-5-2-6-10-16)11-12-21-18(23)13-15-7-3-1-4-8-15/h1-10,17H,11-14,20H2,(H,21,23)(H,22,24).
What are the key properties of N-[3-amino-3-[(2-phenylacetyl)amino]propyl]-2-phenylacetamide?
N-[3-amino-3-[(2-phenylacetyl)amino]propyl]-2-phenylacetamide has a molecular weight of 325.41 g/mol, XLogP of 1.38, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-3-[(2-phenylacetyl)amino]propyl]-2-phenylacetamide is sourced from PubChem (CID 171755707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).