4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide

C16H26N2O2 — CID 119722655

IUPAC4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide
SMILESCNCCCC(=O)NCCCCOc1ccc(C)cc1
InChIInChI=1S/C16H26N2O2/c1-14-7-9-15(10-8-14)20-13-4-3-12-18-16(19)6-5-11-17-2/h7-10,17H,3-6,11-13H2,1-2H3,(H,18,19)
InChIKeyNTQXJNKVQHIBKD-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.27
Rot. Bonds10

About 4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide

4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide (PubChem CID 119722655) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide
PubChem CID119722655
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide
SMILESCNCCCC(=O)NCCCCOc1ccc(C)cc1
InChIInChI=1S/C16H26N2O2/c1-14-7-9-15(10-8-14)20-13-4-3-12-18-16(19)6-5-11-17-2/h7-10,17H,3-6,11-13H2,1-2H3,(H,18,19)
InChIKeyNTQXJNKVQHIBKD-UHFFFAOYSA-N
XLogP2.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.27
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

4-(methylamino)-N-[3-(4-methylphenoxy)propyl]butanamide;hydrochloride
CID 119757236
N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide
CID 106843542
N-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride
CID 119747931
1,3-bis[4-(4-methylphenoxy)butyl]urea
CID 47093546
N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 19174784
5-(4-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopentanamide
CID 55972820
N-methyl-5-(4-methylphenoxy)pentanamide
CID 134582282
2-methyl-3-(methylamino)-N-[4-(4-methylphenoxy)butyl]propanamide;hydrochloride
CID 119722678
4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide
CID 119500483
N-iodo-5-(4-methylphenoxy)pentanamide
CID 146332162
N'-methyl-4-(4-methylphenoxy)butanehydrazide
CID 116820718
N-[3-(4-methylphenoxy)propyl]acetamide
CID 58966904

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide?
The IUPAC name of 4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide (CID 119722655) is 4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide is CNCCCC(=O)NCCCCOc1ccc(C)cc1.
What is the InChIKey of 4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide?
The InChIKey is NTQXJNKVQHIBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-14-7-9-15(10-8-14)20-13-4-3-12-18-16(19)6-5-11-17-2/h7-10,17H,3-6,11-13H2,1-2H3,(H,18,19).
What are the key properties of 4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide?
4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide has a molecular weight of 278.40 g/mol, XLogP of 2.27, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide is sourced from PubChem (CID 119722655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).