5-[(4-hydroxyphenyl)methylamino]pentanamide

C12H18N2O2 — CID 106233275

IUPAC5-[(4-hydroxyphenyl)methylamino]pentanamide
SMILESNC(=O)CCCCNCc1ccc(O)cc1
InChIInChI=1S/C12H18N2O2/c13-12(16)3-1-2-8-14-9-10-4-6-11(15)7-5-10/h4-7,14-15H,1-3,8-9H2,(H2,13,16)
InChIKeyMWEPQJQPNULWJD-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.14
Rot. Bonds7

About 5-[(4-hydroxyphenyl)methylamino]pentanamide

5-[(4-hydroxyphenyl)methylamino]pentanamide (PubChem CID 106233275) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-[(4-hydroxyphenyl)methylamino]pentanamide.

Molecular Properties

Compound Name5-[(4-hydroxyphenyl)methylamino]pentanamide
PubChem CID106233275
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name5-[(4-hydroxyphenyl)methylamino]pentanamide
SMILESNC(=O)CCCCNCc1ccc(O)cc1
InChIInChI=1S/C12H18N2O2/c13-12(16)3-1-2-8-14-9-10-4-6-11(15)7-5-10/h4-7,14-15H,1-3,8-9H2,(H2,13,16)
InChIKeyMWEPQJQPNULWJD-UHFFFAOYSA-N
XLogP1.14
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-hydroxyphenyl)methylamino]propanamide
CID 43553347
4-[[6-[(4-hydroxyphenyl)methylamino]hexylamino]methyl]phenol
CID 22756076
5-(pyridin-4-ylmethylamino)pentanamide
CID 106233961
4-[(4-bromophenyl)methylamino]butanamide
CID 60865006
4-[(4-chlorophenyl)methylamino]butanamide
CID 60865007
5-[(3-fluoro-4-hydroxyphenyl)methylamino]pentanamide
CID 114161742
2-[(4-hydroxyphenyl)methylamino]acetamide
CID 16775960
5-[[4-(difluoromethoxy)phenyl]methylamino]pentanamide
CID 106234184
5-[(4-butoxyphenyl)methylamino]pentanamide
CID 106233532
4-[(4-bromobutylamino)methyl]phenol
CID 106844801
4-[(4-propan-2-ylphenyl)methylamino]butanamide
CID 60863561
5-[3-(4-hydroxyphenyl)propanoylamino]pentanamide
CID 130436786

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxyphenyl)methylamino]pentanamide?
The IUPAC name of 5-[(4-hydroxyphenyl)methylamino]pentanamide (CID 106233275) is 5-[(4-hydroxyphenyl)methylamino]pentanamide.
What is the SMILES notation for 5-[(4-hydroxyphenyl)methylamino]pentanamide?
The canonical SMILES for 5-[(4-hydroxyphenyl)methylamino]pentanamide is NC(=O)CCCCNCc1ccc(O)cc1.
What is the InChIKey of 5-[(4-hydroxyphenyl)methylamino]pentanamide?
The InChIKey is MWEPQJQPNULWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-12(16)3-1-2-8-14-9-10-4-6-11(15)7-5-10/h4-7,14-15H,1-3,8-9H2,(H2,13,16).
What are the key properties of 5-[(4-hydroxyphenyl)methylamino]pentanamide?
5-[(4-hydroxyphenyl)methylamino]pentanamide has a molecular weight of 222.29 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxyphenyl)methylamino]pentanamide is sourced from PubChem (CID 106233275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).