2-[(2-aminoacetyl)amino]-N-(formamidomethyl)-3-naphthalen-1-ylpropanamide

C17H20N4O3 — CID 143400351

IUPAC2-[(2-aminoacetyl)amino]-N-(formamidomethyl)-3-naphthalen-1-ylpropanamide
SMILESNCC(=O)NC(Cc1cccc2ccccc12)C(=O)NCNC=O
InChIInChI=1S/C17H20N4O3/c18-9-16(23)21-15(17(24)20-10-19-11-22)8-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,11,15H,8-10,18H2,(H,19,22)(H,20,24)(H,21,23)
InChIKeyYXFADLINVFCAMX-UHFFFAOYSA-N
MW328.37 g/mol
LogP-0.35
Rot. Bonds8

About 2-[(2-aminoacetyl)amino]-N-(formamidomethyl)-3-naphthalen-1-ylpropanamide

2-[(2-aminoacetyl)amino]-N-(formamidomethyl)-3-naphthalen-1-ylpropanamide (PubChem CID 143400351) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]-N-(formamidomethyl)-3-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]-N-(formamidomethyl)-3-naphthalen-1-ylpropanamide
PubChem CID143400351
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-[(2-aminoacetyl)amino]-N-(formamidomethyl)-3-naphthalen-1-ylpropanamide
SMILESNCC(=O)NC(Cc1cccc2ccccc12)C(=O)NCNC=O
InChIInChI=1S/C17H20N4O3/c18-9-16(23)21-15(17(24)20-10-19-11-22)8-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,11,15H,8-10,18H2,(H,19,22)(H,20,24)(H,21,23)
InChIKeyYXFADLINVFCAMX-UHFFFAOYSA-N
XLogP-0.35
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]-N-(formamidomethyl)-3-naphthalen-1-ylpropanamide?
The IUPAC name of 2-[(2-aminoacetyl)amino]-N-(formamidomethyl)-3-naphthalen-1-ylpropanamide (CID 143400351) is 2-[(2-aminoacetyl)amino]-N-(formamidomethyl)-3-naphthalen-1-ylpropanamide.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]-N-(formamidomethyl)-3-naphthalen-1-ylpropanamide?
The canonical SMILES for 2-[(2-aminoacetyl)amino]-N-(formamidomethyl)-3-naphthalen-1-ylpropanamide is NCC(=O)NC(Cc1cccc2ccccc12)C(=O)NCNC=O.
What is the InChIKey of 2-[(2-aminoacetyl)amino]-N-(formamidomethyl)-3-naphthalen-1-ylpropanamide?
The InChIKey is YXFADLINVFCAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c18-9-16(23)21-15(17(24)20-10-19-11-22)8-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,11,15H,8-10,18H2,(H,19,22)(H,20,24)(H,21,23).
What are the key properties of 2-[(2-aminoacetyl)amino]-N-(formamidomethyl)-3-naphthalen-1-ylpropanamide?
2-[(2-aminoacetyl)amino]-N-(formamidomethyl)-3-naphthalen-1-ylpropanamide has a molecular weight of 328.37 g/mol, XLogP of -0.35, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]-N-(formamidomethyl)-3-naphthalen-1-ylpropanamide is sourced from PubChem (CID 143400351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).