5-[(4-butoxyphenyl)methylamino]pentanamide

C16H26N2O2 — CID 106233532

IUPAC5-[(4-butoxyphenyl)methylamino]pentanamide
SMILESCCCCOc1ccc(CNCCCCC(N)=O)cc1
InChIInChI=1S/C16H26N2O2/c1-2-3-12-20-15-9-7-14(8-10-15)13-18-11-5-4-6-16(17)19/h7-10,18H,2-6,11-13H2,1H3,(H2,17,19)
InChIKeyOOWRTKPORNWEOZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.61
Rot. Bonds11

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

5-[(4-butoxyphenyl)methylamino]pentanamide (PubChem CID 106233532) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-[(4-butoxyphenyl)methylamino]pentanamide.

Molecular Properties

Compound Name5-[(4-butoxyphenyl)methylamino]pentanamide
PubChem CID106233532
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name5-[(4-butoxyphenyl)methylamino]pentanamide
SMILESCCCCOc1ccc(CNCCCCC(N)=O)cc1
InChIInChI=1S/C16H26N2O2/c1-2-3-12-20-15-9-7-14(8-10-15)13-18-11-5-4-6-16(17)19/h7-10,18H,2-6,11-13H2,1H3,(H2,17,19)
InChIKeyOOWRTKPORNWEOZ-UHFFFAOYSA-N
XLogP2.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.61
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

3-[(4-pentoxyphenyl)methylamino]propanamide
CID 43553209
3-[4-(propylaminomethyl)phenoxy]propanamide
CID 43276993
4-[(4-ethoxyphenyl)methylamino]butanamide
CID 60863018
N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832
N-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54797438
ethyl 6-[4-(propylaminomethyl)phenoxy]hexanoate
CID 70696698
2-[4-[(hexylamino)methyl]phenoxy]ethanol;hydrochloride
CID 17213255
N'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine
CID 60887585
5-[[4-(difluoromethoxy)phenyl]methylamino]pentanamide
CID 106234184
5-[(4-hydroxyphenyl)methylamino]pentanamide
CID 106233275
N-[(4-butoxyphenyl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639330
N-[(4-butoxyphenyl)methyl]-5,5,5-trifluoropentan-1-amine
CID 115491421

Frequently Asked Questions

What is the IUPAC name of 5-[(4-butoxyphenyl)methylamino]pentanamide?
The IUPAC name of 5-[(4-butoxyphenyl)methylamino]pentanamide (CID 106233532) is 5-[(4-butoxyphenyl)methylamino]pentanamide.
What is the SMILES notation for 5-[(4-butoxyphenyl)methylamino]pentanamide?
The canonical SMILES for 5-[(4-butoxyphenyl)methylamino]pentanamide is CCCCOc1ccc(CNCCCCC(N)=O)cc1.
What is the InChIKey of 5-[(4-butoxyphenyl)methylamino]pentanamide?
The InChIKey is OOWRTKPORNWEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-3-12-20-15-9-7-14(8-10-15)13-18-11-5-4-6-16(17)19/h7-10,18H,2-6,11-13H2,1H3,(H2,17,19).
What are the key properties of 5-[(4-butoxyphenyl)methylamino]pentanamide?
5-[(4-butoxyphenyl)methylamino]pentanamide has a molecular weight of 278.40 g/mol, XLogP of 2.61, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-butoxyphenyl)methylamino]pentanamide is sourced from PubChem (CID 106233532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).