N-[2-(ethylaminomethyl)phenyl]-3-(oxolan-2-yl)propanamide

C16H24N2O2 — CID 65160577

IUPACN-[2-(ethylaminomethyl)phenyl]-3-(oxolan-2-yl)propanamide
SMILESCCNCc1ccccc1NC(=O)CCC1CCCO1
InChIInChI=1S/C16H24N2O2/c1-2-17-12-13-6-3-4-8-15(13)18-16(19)10-9-14-7-5-11-20-14/h3-4,6,8,14,17H,2,5,7,9-12H2,1H3,(H,18,19)
InChIKeyBMWFHJFZBIVRIL-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.69
Rot. Bonds7

About N-[2-(ethylaminomethyl)phenyl]-3-(oxolan-2-yl)propanamide

N-[2-(ethylaminomethyl)phenyl]-3-(oxolan-2-yl)propanamide (PubChem CID 65160577) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-3-(oxolan-2-yl)propanamide
PubChem CID65160577
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-3-(oxolan-2-yl)propanamide
SMILESCCNCc1ccccc1NC(=O)CCC1CCCO1
InChIInChI=1S/C16H24N2O2/c1-2-17-12-13-6-3-4-8-15(13)18-16(19)10-9-14-7-5-11-20-14/h3-4,6,8,14,17H,2,5,7,9-12H2,1H3,(H,18,19)
InChIKeyBMWFHJFZBIVRIL-UHFFFAOYSA-N
XLogP2.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(chloromethyl)phenyl]-3-(oxan-2-yl)propanamide
CID 114298345
N-(2-chlorophenyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 39087895
N-[2-methyl-3-[3-(oxolan-2-yl)propanoylamino]phenyl]benzamide
CID 87028458
N-(3-chloro-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956717
N-tert-butyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]benzamide
CID 94642296
N-[2-(ethylaminomethyl)phenyl]-4-oxo-4-phenylbutanamide
CID 119440695
2-cyclopentyl-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 60776430
N-[2-(ethylaminomethyl)phenyl]-2-(oxan-4-yl)acetamide
CID 119440769
3-cyclopentyl-N-[2-(methylaminomethyl)phenyl]propanamide;hydrochloride
CID 119259979
3-[(2S)-oxolan-2-yl]-N-pyridin-2-ylpropanamide
CID 51938440
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
N-[2-(ethylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119438958

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3-(oxolan-2-yl)propanamide (CID 65160577) is N-[2-(ethylaminomethyl)phenyl]-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-3-(oxolan-2-yl)propanamide is CCNCc1ccccc1NC(=O)CCC1CCCO1.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-3-(oxolan-2-yl)propanamide?
The InChIKey is BMWFHJFZBIVRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-17-12-13-6-3-4-8-15(13)18-16(19)10-9-14-7-5-11-20-14/h3-4,6,8,14,17H,2,5,7,9-12H2,1H3,(H,18,19).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-3-(oxolan-2-yl)propanamide?
N-[2-(ethylaminomethyl)phenyl]-3-(oxolan-2-yl)propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 65160577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).