4-amino-N-(2-ethoxyethyl)-N-ethyl-4-phenylbutanamide

C16H26N2O2 — CID 63691274

IUPAC4-amino-N-(2-ethoxyethyl)-N-ethyl-4-phenylbutanamide
SMILESCCOCCN(CC)C(=O)CCC(N)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-3-18(12-13-20-4-2)16(19)11-10-15(17)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13,17H2,1-2H3
InChIKeyWTFWYNIDOCJBGR-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.35
Rot. Bonds9

About 4-amino-N-(2-ethoxyethyl)-N-ethyl-4-phenylbutanamide

4-amino-N-(2-ethoxyethyl)-N-ethyl-4-phenylbutanamide (PubChem CID 63691274) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-amino-N-(2-ethoxyethyl)-N-ethyl-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2-ethoxyethyl)-N-ethyl-4-phenylbutanamide
PubChem CID63691274
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-amino-N-(2-ethoxyethyl)-N-ethyl-4-phenylbutanamide
SMILESCCOCCN(CC)C(=O)CCC(N)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-3-18(12-13-20-4-2)16(19)11-10-15(17)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13,17H2,1-2H3
InChIKeyWTFWYNIDOCJBGR-UHFFFAOYSA-N
XLogP2.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-(2-ethoxyethyl)-N-ethyl-2-phenylacetamide
CID 63692706
2-[(4-amino-4-phenylbutanoyl)-ethylamino]acetic acid
CID 63324134
N',N'-bis(2-ethoxyethyl)-1-phenylpropane-1,3-diamine
CID 82942072
(2R)-2-amino-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide
CID 54949185
N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63718241
2-chloro-N,N-bis(2-ethoxyethyl)-2-phenylacetamide
CID 82960088
3-[(4-amino-4-phenylbutanoyl)-ethylamino]butanoic acid
CID 63323741
4-amino-N-(3-hydroxypropyl)-4-phenyl-N-propan-2-ylbutanamide
CID 63324041
1-N,1-N-bis(2-ethoxyethyl)-1-phenylpropane-1,2-diamine
CID 82960381
3-amino-N-(2-ethoxyethyl)-N,2-dimethyl-3-phenylpropanamide
CID 81059342
3-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-phenylpropanamide
CID 60980754
2-ethoxyethyl 2-amino-2-phenylacetate
CID 61278418

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethoxyethyl)-N-ethyl-4-phenylbutanamide?
The IUPAC name of 4-amino-N-(2-ethoxyethyl)-N-ethyl-4-phenylbutanamide (CID 63691274) is 4-amino-N-(2-ethoxyethyl)-N-ethyl-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-(2-ethoxyethyl)-N-ethyl-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-(2-ethoxyethyl)-N-ethyl-4-phenylbutanamide is CCOCCN(CC)C(=O)CCC(N)c1ccccc1.
What is the InChIKey of 4-amino-N-(2-ethoxyethyl)-N-ethyl-4-phenylbutanamide?
The InChIKey is WTFWYNIDOCJBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-18(12-13-20-4-2)16(19)11-10-15(17)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13,17H2,1-2H3.
What are the key properties of 4-amino-N-(2-ethoxyethyl)-N-ethyl-4-phenylbutanamide?
4-amino-N-(2-ethoxyethyl)-N-ethyl-4-phenylbutanamide has a molecular weight of 278.40 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethoxyethyl)-N-ethyl-4-phenylbutanamide is sourced from PubChem (CID 63691274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).