(2R)-2-amino-N-[3-[(9,10-dioxoanthracen-2-yl)amino]propyl]propanamide

C20H21N3O3 — CID 67666210

IUPAC(2R)-2-amino-N-[3-[(9,10-dioxoanthracen-2-yl)amino]propyl]propanamide
SMILESC[C@@H](N)C(=O)NCCCNc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H21N3O3/c1-12(21)20(26)23-10-4-9-22-13-7-8-16-17(11-13)19(25)15-6-3-2-5-14(15)18(16)24/h2-3,5-8,11-12,22H,4,9-10,21H2,1H3,(H,23,26)/t12-/m1/s1
InChIKeyBIFQYPAXBHWYAR-GFCCVEGCSA-N
MW351.41 g/mol
LogP1.73
Rot. Bonds6

About (2R)-2-amino-N-[3-[(9,10-dioxoanthracen-2-yl)amino]propyl]propanamide

(2R)-2-amino-N-[3-[(9,10-dioxoanthracen-2-yl)amino]propyl]propanamide (PubChem CID 67666210) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-[(9,10-dioxoanthracen-2-yl)amino]propyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-[(9,10-dioxoanthracen-2-yl)amino]propyl]propanamide
PubChem CID67666210
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name(2R)-2-amino-N-[3-[(9,10-dioxoanthracen-2-yl)amino]propyl]propanamide
SMILESC[C@@H](N)C(=O)NCCCNc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H21N3O3/c1-12(21)20(26)23-10-4-9-22-13-7-8-16-17(11-13)19(25)15-6-3-2-5-14(15)18(16)24/h2-3,5-8,11-12,22H,4,9-10,21H2,1H3,(H,23,26)/t12-/m1/s1
InChIKeyBIFQYPAXBHWYAR-GFCCVEGCSA-N
XLogP1.73
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-[(9,10-dioxoanthracen-2-yl)amino]propyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[3-[(9,10-dioxoanthracen-2-yl)amino]propyl]propanamide (CID 67666210) is (2R)-2-amino-N-[3-[(9,10-dioxoanthracen-2-yl)amino]propyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-[(9,10-dioxoanthracen-2-yl)amino]propyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[3-[(9,10-dioxoanthracen-2-yl)amino]propyl]propanamide is C[C@@H](N)C(=O)NCCCNc1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of (2R)-2-amino-N-[3-[(9,10-dioxoanthracen-2-yl)amino]propyl]propanamide?
The InChIKey is BIFQYPAXBHWYAR-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-12(21)20(26)23-10-4-9-22-13-7-8-16-17(11-13)19(25)15-6-3-2-5-14(15)18(16)24/h2-3,5-8,11-12,22H,4,9-10,21H2,1H3,(H,23,26)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-[(9,10-dioxoanthracen-2-yl)amino]propyl]propanamide?
(2R)-2-amino-N-[3-[(9,10-dioxoanthracen-2-yl)amino]propyl]propanamide has a molecular weight of 351.41 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[3-[(9,10-dioxoanthracen-2-yl)amino]propyl]propanamide is sourced from PubChem (CID 67666210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).