N,N-diethyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide

C16H26N2O2 — CID 43277363

IUPACN,N-diethyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
SMILESCCN(CC)C(=O)COc1ccccc1CNC(C)C
InChIInChI=1S/C16H26N2O2/c1-5-18(6-2)16(19)12-20-15-10-8-7-9-14(15)11-17-13(3)4/h7-10,13,17H,5-6,11-12H2,1-4H3
InChIKeyOGIUZENUQOFJCS-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.43
Rot. Bonds8

About N,N-diethyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide

N,N-diethyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide (PubChem CID 43277363) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N,N-diethyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
PubChem CID43277363
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN,N-diethyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
SMILESCCN(CC)C(=O)COc1ccccc1CNC(C)C
InChIInChI=1S/C16H26N2O2/c1-5-18(6-2)16(19)12-20-15-10-8-7-9-14(15)11-17-13(3)4/h7-10,13,17H,5-6,11-12H2,1-4H3
InChIKeyOGIUZENUQOFJCS-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 54850060
2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide
CID 16771866
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 61489295
N-cyclopropyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43277358
N,N-diethyl-2-(2-fluorophenoxy)acetamide
CID 2178411
2-(2-acetamidophenoxy)-N,N-diethylacetamide
CID 7688277
3-[(2-ethoxyphenyl)methylamino]-N,N-diethylpropanamide
CID 60925933
1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea
CID 47375969
1,1-diethyl-3-[[2-(2-methylpropoxy)phenyl]methyl]urea
CID 60562621
N-ethyl-2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 61267271
2-[2-(aminomethyl)phenoxy]-N-(2-ethoxyethyl)-N-ethylacetamide
CID 63697693

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide?
The IUPAC name of N,N-diethyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide (CID 43277363) is N,N-diethyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for N,N-diethyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide?
The canonical SMILES for N,N-diethyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide is CCN(CC)C(=O)COc1ccccc1CNC(C)C.
What is the InChIKey of N,N-diethyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide?
The InChIKey is OGIUZENUQOFJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-18(6-2)16(19)12-20-15-10-8-7-9-14(15)11-17-13(3)4/h7-10,13,17H,5-6,11-12H2,1-4H3.
What are the key properties of N,N-diethyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide?
N,N-diethyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 43277363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).