N-(3-aminopropyl)-N-(2-methoxyphenyl)oxane-3-carboxamide

C16H24N2O3 — CID 63011480

IUPACN-(3-aminopropyl)-N-(2-methoxyphenyl)oxane-3-carboxamide
SMILESCOc1ccccc1N(CCCN)C(=O)C1CCCOC1
InChIInChI=1S/C16H24N2O3/c1-20-15-8-3-2-7-14(15)18(10-5-9-17)16(19)13-6-4-11-21-12-13/h2-3,7-8,13H,4-6,9-12,17H2,1H3
InChIKeyUDQQUILHDLVZHK-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.80
Rot. Bonds6

About N-(3-aminopropyl)-N-(2-methoxyphenyl)oxane-3-carboxamide

N-(3-aminopropyl)-N-(2-methoxyphenyl)oxane-3-carboxamide (PubChem CID 63011480) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(2-methoxyphenyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(2-methoxyphenyl)oxane-3-carboxamide
PubChem CID63011480
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-(3-aminopropyl)-N-(2-methoxyphenyl)oxane-3-carboxamide
SMILESCOc1ccccc1N(CCCN)C(=O)C1CCCOC1
InChIInChI=1S/C16H24N2O3/c1-20-15-8-3-2-7-14(15)18(10-5-9-17)16(19)13-6-4-11-21-12-13/h2-3,7-8,13H,4-6,9-12,17H2,1H3
InChIKeyUDQQUILHDLVZHK-UHFFFAOYSA-N
XLogP1.80
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(2-methoxyphenyl)oxane-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-(2-methoxyphenyl)oxane-3-carboxamide (CID 63011480) is N-(3-aminopropyl)-N-(2-methoxyphenyl)oxane-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(2-methoxyphenyl)oxane-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-(2-methoxyphenyl)oxane-3-carboxamide is COc1ccccc1N(CCCN)C(=O)C1CCCOC1.
What is the InChIKey of N-(3-aminopropyl)-N-(2-methoxyphenyl)oxane-3-carboxamide?
The InChIKey is UDQQUILHDLVZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-20-15-8-3-2-7-14(15)18(10-5-9-17)16(19)13-6-4-11-21-12-13/h2-3,7-8,13H,4-6,9-12,17H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-(2-methoxyphenyl)oxane-3-carboxamide?
N-(3-aminopropyl)-N-(2-methoxyphenyl)oxane-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(2-methoxyphenyl)oxane-3-carboxamide is sourced from PubChem (CID 63011480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).