2-(aminomethyl)-N-(3-aminopropyl)-3-naphthalen-2-yl-2-(naphthalen-2-ylmethyl)propanamide

C28H31N3O — CID 71460298

IUPAC2-(aminomethyl)-N-(3-aminopropyl)-3-naphthalen-2-yl-2-(naphthalen-2-ylmethyl)propanamide
SMILESNCCCNC(=O)C(CN)(Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1
InChIInChI=1S/C28H31N3O/c29-14-5-15-31-27(32)28(20-30,18-21-10-12-23-6-1-3-8-25(23)16-21)19-22-11-13-24-7-2-4-9-26(24)17-22/h1-4,6-13,16-17H,5,14-15,18-20,29-30H2,(H,31,32)
InChIKeyKBMHMLHOQDKGAK-UHFFFAOYSA-N
MW425.58 g/mol
LogP4.19
Rot. Bonds9

About 2-(aminomethyl)-N-(3-aminopropyl)-3-naphthalen-2-yl-2-(naphthalen-2-ylmethyl)propanamide

2-(aminomethyl)-N-(3-aminopropyl)-3-naphthalen-2-yl-2-(naphthalen-2-ylmethyl)propanamide (PubChem CID 71460298) has the molecular formula C28H31N3O and a molecular weight of 425.58 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-aminopropyl)-3-naphthalen-2-yl-2-(naphthalen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-aminopropyl)-3-naphthalen-2-yl-2-(naphthalen-2-ylmethyl)propanamide
PubChem CID71460298
Molecular FormulaC28H31N3O
Molecular Weight425.58 g/mol
Exact Mass425.25
IUPAC Name2-(aminomethyl)-N-(3-aminopropyl)-3-naphthalen-2-yl-2-(naphthalen-2-ylmethyl)propanamide
SMILESNCCCNC(=O)C(CN)(Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1
InChIInChI=1S/C28H31N3O/c29-14-5-15-31-27(32)28(20-30,18-21-10-12-23-6-1-3-8-25(23)16-21)19-22-11-13-24-7-2-4-9-26(24)17-22/h1-4,6-13,16-17H,5,14-15,18-20,29-30H2,(H,31,32)
InChIKeyKBMHMLHOQDKGAK-UHFFFAOYSA-N
XLogP4.19
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-aminopropyl)-3-naphthalen-2-yl-2-(naphthalen-2-ylmethyl)propanamide?
The IUPAC name of 2-(aminomethyl)-N-(3-aminopropyl)-3-naphthalen-2-yl-2-(naphthalen-2-ylmethyl)propanamide (CID 71460298) is 2-(aminomethyl)-N-(3-aminopropyl)-3-naphthalen-2-yl-2-(naphthalen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-aminopropyl)-3-naphthalen-2-yl-2-(naphthalen-2-ylmethyl)propanamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-aminopropyl)-3-naphthalen-2-yl-2-(naphthalen-2-ylmethyl)propanamide is NCCCNC(=O)C(CN)(Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1.
What is the InChIKey of 2-(aminomethyl)-N-(3-aminopropyl)-3-naphthalen-2-yl-2-(naphthalen-2-ylmethyl)propanamide?
The InChIKey is KBMHMLHOQDKGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O/c29-14-5-15-31-27(32)28(20-30,18-21-10-12-23-6-1-3-8-25(23)16-21)19-22-11-13-24-7-2-4-9-26(24)17-22/h1-4,6-13,16-17H,5,14-15,18-20,29-30H2,(H,31,32).
What are the key properties of 2-(aminomethyl)-N-(3-aminopropyl)-3-naphthalen-2-yl-2-(naphthalen-2-ylmethyl)propanamide?
2-(aminomethyl)-N-(3-aminopropyl)-3-naphthalen-2-yl-2-(naphthalen-2-ylmethyl)propanamide has a molecular weight of 425.58 g/mol, XLogP of 4.19, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-aminopropyl)-3-naphthalen-2-yl-2-(naphthalen-2-ylmethyl)propanamide is sourced from PubChem (CID 71460298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).