2-ethoxy-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide

C14H22N2O2 — CID 106910809

IUPAC2-ethoxy-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide
SMILESCCOCC(=O)Nc1cccc(CNC(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-4-18-10-14(17)16-13-7-5-6-12(8-13)9-15-11(2)3/h5-8,11,15H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyBPWRSOZIFRHHPH-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.16
Rot. Bonds7

About 2-ethoxy-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide

2-ethoxy-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide (PubChem CID 106910809) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-ethoxy-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide
PubChem CID106910809
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-ethoxy-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide
SMILESCCOCC(=O)Nc1cccc(CNC(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-4-18-10-14(17)16-13-7-5-6-12(8-13)9-15-11(2)3/h5-8,11,15H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyBPWRSOZIFRHHPH-UHFFFAOYSA-N
XLogP2.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-[3-(methylaminomethyl)phenyl]acetamide;hydrochloride
CID 119441041
N-[3-(bromomethyl)phenyl]-2-ethoxyacetamide
CID 114307296
3-(2,2-difluoroethoxy)-N-[3-[(propan-2-ylamino)methyl]phenyl]propanamide
CID 106910760
2-ethoxy-N-(3-hydroxyphenyl)acetamide
CID 28780663
2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43507750
2-cyclohexyl-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 106910808
N-[3-(bromomethyl)phenyl]-2-propoxyacetamide
CID 107941211
2-ethoxy-N-(3-ethoxyphenyl)acetamide
CID 61062065
N-[3-[(propan-2-ylamino)methyl]phenyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106910792
N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide
CID 43601133
N-[3-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112604048
N-[3-(2-methoxyethoxymethyl)phenyl]-3-(propan-2-ylamino)propanamide
CID 60927722

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide?
The IUPAC name of 2-ethoxy-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide (CID 106910809) is 2-ethoxy-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide is CCOCC(=O)Nc1cccc(CNC(C)C)c1.
What is the InChIKey of 2-ethoxy-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide?
The InChIKey is BPWRSOZIFRHHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-18-10-14(17)16-13-7-5-6-12(8-13)9-15-11(2)3/h5-8,11,15H,4,9-10H2,1-3H3,(H,16,17).
What are the key properties of 2-ethoxy-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide?
2-ethoxy-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide has a molecular weight of 250.34 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 106910809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).