2-hydroxy-3-[(4-pentoxyphenyl)methylamino]propanamide

C15H24N2O3 — CID 106171142

IUPAC2-hydroxy-3-[(4-pentoxyphenyl)methylamino]propanamide
SMILESCCCCCOc1ccc(CNCC(O)C(N)=O)cc1
InChIInChI=1S/C15H24N2O3/c1-2-3-4-9-20-13-7-5-12(6-8-13)10-17-11-14(18)15(16)19/h5-8,14,17-18H,2-4,9-11H2,1H3,(H2,16,19)
InChIKeyHYLBNIFOAMBWSE-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.19
Rot. Bonds10

About 2-hydroxy-3-[(4-pentoxyphenyl)methylamino]propanamide

2-hydroxy-3-[(4-pentoxyphenyl)methylamino]propanamide (PubChem CID 106171142) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-hydroxy-3-[(4-pentoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[(4-pentoxyphenyl)methylamino]propanamide
PubChem CID106171142
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-hydroxy-3-[(4-pentoxyphenyl)methylamino]propanamide
SMILESCCCCCOc1ccc(CNCC(O)C(N)=O)cc1
InChIInChI=1S/C15H24N2O3/c1-2-3-4-9-20-13-7-5-12(6-8-13)10-17-11-14(18)15(16)19/h5-8,14,17-18H,2-4,9-11H2,1H3,(H2,16,19)
InChIKeyHYLBNIFOAMBWSE-UHFFFAOYSA-N
XLogP1.19
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(4-hexoxyphenyl)methylamino]propan-2-ol
CID 46872164
2-hydroxy-3-[(4-methoxyphenyl)methylamino]propanamide
CID 106170843
3-[(4-pentoxyphenyl)methylamino]propanamide
CID 43553209
(2R)-2-[(4-pentoxyphenyl)methylamino]propanamide
CID 93037212
2-methyl-N-[(4-octoxyphenyl)methyl]propan-1-amine
CID 60657431
1-[(4-butoxyphenyl)methylamino]-3-methylbutan-2-ol
CID 115630592
methyl (2S)-2-[(4-pentoxyphenyl)methylamino]propanoate
CID 43723511
N'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine
CID 60887585
5-[(4-butoxyphenyl)methylamino]pentanamide
CID 106233532
2-ethoxy-N-[(4-pentoxyphenyl)methyl]propan-1-amine
CID 115655578
2-methyl-3-methylsulfanyl-N-[(4-pentoxyphenyl)methyl]propan-1-amine
CID 63981906
N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(4-pentoxyphenyl)methylamino]propanamide?
The IUPAC name of 2-hydroxy-3-[(4-pentoxyphenyl)methylamino]propanamide (CID 106171142) is 2-hydroxy-3-[(4-pentoxyphenyl)methylamino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[(4-pentoxyphenyl)methylamino]propanamide?
The canonical SMILES for 2-hydroxy-3-[(4-pentoxyphenyl)methylamino]propanamide is CCCCCOc1ccc(CNCC(O)C(N)=O)cc1.
What is the InChIKey of 2-hydroxy-3-[(4-pentoxyphenyl)methylamino]propanamide?
The InChIKey is HYLBNIFOAMBWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-3-4-9-20-13-7-5-12(6-8-13)10-17-11-14(18)15(16)19/h5-8,14,17-18H,2-4,9-11H2,1H3,(H2,16,19).
What are the key properties of 2-hydroxy-3-[(4-pentoxyphenyl)methylamino]propanamide?
2-hydroxy-3-[(4-pentoxyphenyl)methylamino]propanamide has a molecular weight of 280.37 g/mol, XLogP of 1.19, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(4-pentoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 106171142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).