2-[(3-ethoxyphenyl)methylamino]-N-pentan-3-ylpropanamide

C17H28N2O2 — CID 60872987

IUPAC2-[(3-ethoxyphenyl)methylamino]-N-pentan-3-ylpropanamide
SMILESCCOc1cccc(CNC(C)C(=O)NC(CC)CC)c1
InChIInChI=1S/C17H28N2O2/c1-5-15(6-2)19-17(20)13(4)18-12-14-9-8-10-16(11-14)21-7-3/h8-11,13,15,18H,5-7,12H2,1-4H3,(H,19,20)
InChIKeyXYKXRQQAHBQEMC-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.87
Rot. Bonds9

About 2-[(3-ethoxyphenyl)methylamino]-N-pentan-3-ylpropanamide

2-[(3-ethoxyphenyl)methylamino]-N-pentan-3-ylpropanamide (PubChem CID 60872987) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[(3-ethoxyphenyl)methylamino]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[(3-ethoxyphenyl)methylamino]-N-pentan-3-ylpropanamide
PubChem CID60872987
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[(3-ethoxyphenyl)methylamino]-N-pentan-3-ylpropanamide
SMILESCCOc1cccc(CNC(C)C(=O)NC(CC)CC)c1
InChIInChI=1S/C17H28N2O2/c1-5-15(6-2)19-17(20)13(4)18-12-14-9-8-10-16(11-14)21-7-3/h8-11,13,15,18H,5-7,12H2,1-4H3,(H,19,20)
InChIKeyXYKXRQQAHBQEMC-UHFFFAOYSA-N
XLogP2.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethoxyphenyl)methylamino]propanoic acid
CID 61499824
2-[[3-(methoxymethyl)phenyl]methylamino]-N-pentan-3-ylpropanamide
CID 61003057
(2R)-2-[(3-ethoxyphenyl)methylamino]butan-1-ol
CID 40727274
(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
CID 40726178
2-cyclopropyl-2-[(3-ethoxyphenyl)methylamino]acetic acid
CID 65059963
4-[(3-ethoxyphenyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496650
ethyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
CID 61498264
(2R)-2-[(3-phenylmethoxyphenyl)methylamino]propanoic acid
CID 95003342
(2R)-N-[(3-ethoxyphenyl)methyl]-2-phenoxypropanamide
CID 94184628
3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylpropanamide
CID 62671028
(2S)-2-[(3-phenylmethoxyphenyl)methylamino]propanamide
CID 10708191
3-[(3-ethoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 111469199

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxyphenyl)methylamino]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[(3-ethoxyphenyl)methylamino]-N-pentan-3-ylpropanamide (CID 60872987) is 2-[(3-ethoxyphenyl)methylamino]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[(3-ethoxyphenyl)methylamino]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[(3-ethoxyphenyl)methylamino]-N-pentan-3-ylpropanamide is CCOc1cccc(CNC(C)C(=O)NC(CC)CC)c1.
What is the InChIKey of 2-[(3-ethoxyphenyl)methylamino]-N-pentan-3-ylpropanamide?
The InChIKey is XYKXRQQAHBQEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-15(6-2)19-17(20)13(4)18-12-14-9-8-10-16(11-14)21-7-3/h8-11,13,15,18H,5-7,12H2,1-4H3,(H,19,20).
What are the key properties of 2-[(3-ethoxyphenyl)methylamino]-N-pentan-3-ylpropanamide?
2-[(3-ethoxyphenyl)methylamino]-N-pentan-3-ylpropanamide has a molecular weight of 292.42 g/mol, XLogP of 2.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxyphenyl)methylamino]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 60872987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).