2-[1-(4-methoxyphenyl)ethylamino]-N-pentylpropanamide

C17H28N2O2 — CID 62048218

IUPAC2-[1-(4-methoxyphenyl)ethylamino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)NC(C)c1ccc(OC)cc1
InChIInChI=1S/C17H28N2O2/c1-5-6-7-12-18-17(20)14(3)19-13(2)15-8-10-16(21-4)11-9-15/h8-11,13-14,19H,5-7,12H2,1-4H3,(H,18,20)
InChIKeyRTJKMEHTMLLMGF-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.04
Rot. Bonds9

About 2-[1-(4-methoxyphenyl)ethylamino]-N-pentylpropanamide

2-[1-(4-methoxyphenyl)ethylamino]-N-pentylpropanamide (PubChem CID 62048218) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)ethylamino]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)ethylamino]-N-pentylpropanamide
PubChem CID62048218
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[1-(4-methoxyphenyl)ethylamino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)NC(C)c1ccc(OC)cc1
InChIInChI=1S/C17H28N2O2/c1-5-6-7-12-18-17(20)14(3)19-13(2)15-8-10-16(21-4)11-9-15/h8-11,13-14,19H,5-7,12H2,1-4H3,(H,18,20)
InChIKeyRTJKMEHTMLLMGF-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propanoate
CID 81370863
2-[1-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115597064
2-[[(1S)-1-(3-methylphenyl)ethyl]amino]-N-pentylpropanamide
CID 81361574
(2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide
CID 38016340
2-[4-[1-(methylamino)ethyl]phenoxy]-N-pentylpropanamide
CID 43279211
(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
CID 42082748
4-methoxy-N-pentylbenzamide
CID 3113360
N-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3558322
N-hexyl-4-methoxy(11C)benzamide
CID 177422178
4-methoxy-N-nonylbenzamide
CID 3557385
N-pentyl-2-(4-propan-2-ylphenoxy)propanamide
CID 64763482
2-[(2-methylpropan-2-yl)oxyamino]-N-pentylpropanamide
CID 82724423

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)ethylamino]-N-pentylpropanamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)ethylamino]-N-pentylpropanamide (CID 62048218) is 2-[1-(4-methoxyphenyl)ethylamino]-N-pentylpropanamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)ethylamino]-N-pentylpropanamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)ethylamino]-N-pentylpropanamide is CCCCCNC(=O)C(C)NC(C)c1ccc(OC)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)ethylamino]-N-pentylpropanamide?
The InChIKey is RTJKMEHTMLLMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-6-7-12-18-17(20)14(3)19-13(2)15-8-10-16(21-4)11-9-15/h8-11,13-14,19H,5-7,12H2,1-4H3,(H,18,20).
What are the key properties of 2-[1-(4-methoxyphenyl)ethylamino]-N-pentylpropanamide?
2-[1-(4-methoxyphenyl)ethylamino]-N-pentylpropanamide has a molecular weight of 292.42 g/mol, XLogP of 3.04, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)ethylamino]-N-pentylpropanamide is sourced from PubChem (CID 62048218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).