N-(3-aminopropyl)-N-benzyloxane-4-carboxamide

C16H24N2O2 — CID 107366082

IUPACN-(3-aminopropyl)-N-benzyloxane-4-carboxamide
SMILESNCCCN(Cc1ccccc1)C(=O)C1CCOCC1
InChIInChI=1S/C16H24N2O2/c17-9-4-10-18(13-14-5-2-1-3-6-14)16(19)15-7-11-20-12-8-15/h1-3,5-6,15H,4,7-13,17H2
InChIKeyARSYMTKFMOAOFB-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.79
Rot. Bonds6

About N-(3-aminopropyl)-N-benzyloxane-4-carboxamide

N-(3-aminopropyl)-N-benzyloxane-4-carboxamide (PubChem CID 107366082) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyloxane-4-carboxamide
PubChem CID107366082
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(3-aminopropyl)-N-benzyloxane-4-carboxamide
SMILESNCCCN(Cc1ccccc1)C(=O)C1CCOCC1
InChIInChI=1S/C16H24N2O2/c17-9-4-10-18(13-14-5-2-1-3-6-14)16(19)15-7-11-20-12-8-15/h1-3,5-6,15H,4,7-13,17H2
InChIKeyARSYMTKFMOAOFB-UHFFFAOYSA-N
XLogP1.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120649694
N-(3-aminopropyl)-N-benzylcyclohex-3-ene-1-carboxamide
CID 107365878
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571
N-(3-aminopropyl)-N-benzyl-3-(oxan-4-yloxy)propanamide
CID 120648101
N-(3-aminopropyl)-N-benzyl-2,2-dimethylcyclopropane-1-carboxamide
CID 107366064
N-(3-aminopropyl)-N-benzyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 120649649
N-benzyl-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
CID 60666282
N-(3-aminopropyl)-N-benzyl-4-morpholin-4-yl-4-oxobutanamide
CID 120649496
4-[(3-amino-3-oxopropyl)-benzylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672388
N-(3-aminopropyl)-N-cyclobutyloxane-4-carboxamide
CID 102873819
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
3-N-(3-aminopropyl)-3-N-benzyl-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
CID 120648055

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyloxane-4-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyloxane-4-carboxamide (CID 107366082) is N-(3-aminopropyl)-N-benzyloxane-4-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyloxane-4-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyloxane-4-carboxamide is NCCCN(Cc1ccccc1)C(=O)C1CCOCC1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyloxane-4-carboxamide?
The InChIKey is ARSYMTKFMOAOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-9-4-10-18(13-14-5-2-1-3-6-14)16(19)15-7-11-20-12-8-15/h1-3,5-6,15H,4,7-13,17H2.
What are the key properties of N-(3-aminopropyl)-N-benzyloxane-4-carboxamide?
N-(3-aminopropyl)-N-benzyloxane-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyloxane-4-carboxamide is sourced from PubChem (CID 107366082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).