N-[3-(aminomethyl)-4-ethoxyphenyl]-2-(oxolan-2-yl)acetamide

C15H22N2O3 — CID 65159293

IUPACN-[3-(aminomethyl)-4-ethoxyphenyl]-2-(oxolan-2-yl)acetamide
SMILESCCOc1ccc(NC(=O)CC2CCCO2)cc1CN
InChIInChI=1S/C15H22N2O3/c1-2-19-14-6-5-12(8-11(14)10-16)17-15(18)9-13-4-3-7-20-13/h5-6,8,13H,2-4,7,9-10,16H2,1H3,(H,17,18)
InChIKeyQVUGZDGMKDTMTA-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.05
Rot. Bonds6

About N-[3-(aminomethyl)-4-ethoxyphenyl]-2-(oxolan-2-yl)acetamide

N-[3-(aminomethyl)-4-ethoxyphenyl]-2-(oxolan-2-yl)acetamide (PubChem CID 65159293) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[3-(aminomethyl)-4-ethoxyphenyl]-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-4-ethoxyphenyl]-2-(oxolan-2-yl)acetamide
PubChem CID65159293
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[3-(aminomethyl)-4-ethoxyphenyl]-2-(oxolan-2-yl)acetamide
SMILESCCOc1ccc(NC(=O)CC2CCCO2)cc1CN
InChIInChI=1S/C15H22N2O3/c1-2-19-14-6-5-12(8-11(14)10-16)17-15(18)9-13-4-3-7-20-13/h5-6,8,13H,2-4,7,9-10,16H2,1H3,(H,17,18)
InChIKeyQVUGZDGMKDTMTA-UHFFFAOYSA-N
XLogP2.05
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65155965
N-(4-ethylphenyl)-2-(oxolan-2-yl)acetamide
CID 110696629
(2S)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]oxolane-2-carboxamide
CID 93441465
N-[3-(2-aminoethoxy)phenyl]-2-(oxolan-2-yl)acetamide
CID 65152316
N-(3-methyl-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
CID 65155493
4-ethoxy-3-(methoxymethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 133254195
2-[5-[[2-(oxolan-2-yl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107339211
2-[2-chloro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]phenoxy]acetic acid
CID 129469734
2-[2-chloro-4-[[2-(oxan-2-yl)acetyl]amino]phenoxy]acetic acid
CID 120688629
N-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209277
N-[3-(aminomethyl)-4-ethoxyphenyl]-2-methylbutanamide
CID 63755309
N-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide
CID 110696648

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-4-ethoxyphenyl]-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-[3-(aminomethyl)-4-ethoxyphenyl]-2-(oxolan-2-yl)acetamide (CID 65159293) is N-[3-(aminomethyl)-4-ethoxyphenyl]-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-[3-(aminomethyl)-4-ethoxyphenyl]-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-[3-(aminomethyl)-4-ethoxyphenyl]-2-(oxolan-2-yl)acetamide is CCOc1ccc(NC(=O)CC2CCCO2)cc1CN.
What is the InChIKey of N-[3-(aminomethyl)-4-ethoxyphenyl]-2-(oxolan-2-yl)acetamide?
The InChIKey is QVUGZDGMKDTMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-19-14-6-5-12(8-11(14)10-16)17-15(18)9-13-4-3-7-20-13/h5-6,8,13H,2-4,7,9-10,16H2,1H3,(H,17,18).
What are the key properties of N-[3-(aminomethyl)-4-ethoxyphenyl]-2-(oxolan-2-yl)acetamide?
N-[3-(aminomethyl)-4-ethoxyphenyl]-2-(oxolan-2-yl)acetamide has a molecular weight of 278.35 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-4-ethoxyphenyl]-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 65159293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).