4-(2-aminoethyl)-N-(3-methyloxolan-3-yl)benzamide

C14H20N2O2 — CID 113482027

IUPAC4-(2-aminoethyl)-N-(3-methyloxolan-3-yl)benzamide
SMILESCC1(NC(=O)c2ccc(CCN)cc2)CCOC1
InChIInChI=1S/C14H20N2O2/c1-14(7-9-18-10-14)16-13(17)12-4-2-11(3-5-12)6-8-15/h2-5H,6-10,15H2,1H3,(H,16,17)
InChIKeyQDJBUJDZGQFTHZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.10
Rot. Bonds4

About 4-(2-aminoethyl)-N-(3-methyloxolan-3-yl)benzamide

4-(2-aminoethyl)-N-(3-methyloxolan-3-yl)benzamide (PubChem CID 113482027) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(3-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(3-methyloxolan-3-yl)benzamide
PubChem CID113482027
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-(2-aminoethyl)-N-(3-methyloxolan-3-yl)benzamide
SMILESCC1(NC(=O)c2ccc(CCN)cc2)CCOC1
InChIInChI=1S/C14H20N2O2/c1-14(7-9-18-10-14)16-13(17)12-4-2-11(3-5-12)6-8-15/h2-5H,6-10,15H2,1H3,(H,16,17)
InChIKeyQDJBUJDZGQFTHZ-UHFFFAOYSA-N
XLogP1.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298903
4-(diethylamino)-N-[(3S)-3-methyloxolan-3-yl]benzamide
CID 97329109
4-[(3-methyloxan-3-yl)carbamoyl]benzoic acid
CID 114114464
4-(2-aminoethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide
CID 114115971
3,5-dibromo-N-(3-methyloxolan-3-yl)benzamide
CID 103909392
4-(2-aminoethyl)-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65107141
4-amino-3,5-dichloro-N-(3-methyloxolan-3-yl)benzamide
CID 113343145
2-fluoro-N-(3-methyloxolan-3-yl)benzamide
CID 115769256
3-chloro-4-iodo-N-(3-methyloxolan-3-yl)benzamide
CID 103852243
N-(4-methyloxan-4-yl)-4-sulfanylbenzamide
CID 107035610
4-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114629766
4-(2-aminoethyl)-N-methoxybenzamide
CID 64974995

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(3-methyloxolan-3-yl)benzamide?
The IUPAC name of 4-(2-aminoethyl)-N-(3-methyloxolan-3-yl)benzamide (CID 113482027) is 4-(2-aminoethyl)-N-(3-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(3-methyloxolan-3-yl)benzamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(3-methyloxolan-3-yl)benzamide is CC1(NC(=O)c2ccc(CCN)cc2)CCOC1.
What is the InChIKey of 4-(2-aminoethyl)-N-(3-methyloxolan-3-yl)benzamide?
The InChIKey is QDJBUJDZGQFTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(7-9-18-10-14)16-13(17)12-4-2-11(3-5-12)6-8-15/h2-5H,6-10,15H2,1H3,(H,16,17).
What are the key properties of 4-(2-aminoethyl)-N-(3-methyloxolan-3-yl)benzamide?
4-(2-aminoethyl)-N-(3-methyloxolan-3-yl)benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(3-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 113482027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).