N-butyl-2-[4-[2-(methylamino)propyl]phenoxy]acetamide

C16H26N2O2 — CID 115494718

IUPACN-butyl-2-[4-[2-(methylamino)propyl]phenoxy]acetamide
SMILESCCCCNC(=O)COc1ccc(CC(C)NC)cc1
InChIInChI=1S/C16H26N2O2/c1-4-5-10-18-16(19)12-20-15-8-6-14(7-9-15)11-13(2)17-3/h6-9,13,17H,4-5,10-12H2,1-3H3,(H,18,19)
InChIKeyBBCQOBIZEKOUJJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.13
Rot. Bonds9

About N-butyl-2-[4-[2-(methylamino)propyl]phenoxy]acetamide

N-butyl-2-[4-[2-(methylamino)propyl]phenoxy]acetamide (PubChem CID 115494718) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-butyl-2-[4-[2-(methylamino)propyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-[2-(methylamino)propyl]phenoxy]acetamide
PubChem CID115494718
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-butyl-2-[4-[2-(methylamino)propyl]phenoxy]acetamide
SMILESCCCCNC(=O)COc1ccc(CC(C)NC)cc1
InChIInChI=1S/C16H26N2O2/c1-4-5-10-18-16(19)12-20-15-8-6-14(7-9-15)11-13(2)17-3/h6-9,13,17H,4-5,10-12H2,1-3H3,(H,18,19)
InChIKeyBBCQOBIZEKOUJJ-UHFFFAOYSA-N
XLogP2.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.13
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

2-[4-(2-aminobutyl)phenoxy]-N-butylacetamide
CID 61485616
2-[4-[2-(ethylamino)propyl]phenoxy]-N-propylacetamide
CID 115495042
methyl 2-[4-[2-(butylamino)-2-oxoethoxy]phenyl]acetate
CID 112786526
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930
N-butyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78931016
N-butyl-2-[4-(1-hydroxyethyl)phenoxy]acetamide
CID 54956588
N-butyl-2-(4-propoxyphenoxy)acetamide
CID 112775304
2-[4-[(2S)-2-(methylamino)propyl]phenoxy]acetic acid
CID 10236117
2-[4-[2-(methylamino)propyl]phenoxy]acetamide
CID 115494731
ethyl 2-[4-[2-(methylamino)propyl]phenoxy]acetate
CID 113322952
4-[2-(butylamino)-2-oxoethoxy]benzoic acid
CID 22645381
N-butyl-2-[4-(3-hydroxyiminobutyl)phenoxy]acetamide
CID 76905080

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-[2-(methylamino)propyl]phenoxy]acetamide?
The IUPAC name of N-butyl-2-[4-[2-(methylamino)propyl]phenoxy]acetamide (CID 115494718) is N-butyl-2-[4-[2-(methylamino)propyl]phenoxy]acetamide.
What is the SMILES notation for N-butyl-2-[4-[2-(methylamino)propyl]phenoxy]acetamide?
The canonical SMILES for N-butyl-2-[4-[2-(methylamino)propyl]phenoxy]acetamide is CCCCNC(=O)COc1ccc(CC(C)NC)cc1.
What is the InChIKey of N-butyl-2-[4-[2-(methylamino)propyl]phenoxy]acetamide?
The InChIKey is BBCQOBIZEKOUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-5-10-18-16(19)12-20-15-8-6-14(7-9-15)11-13(2)17-3/h6-9,13,17H,4-5,10-12H2,1-3H3,(H,18,19).
What are the key properties of N-butyl-2-[4-[2-(methylamino)propyl]phenoxy]acetamide?
N-butyl-2-[4-[2-(methylamino)propyl]phenoxy]acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-[2-(methylamino)propyl]phenoxy]acetamide is sourced from PubChem (CID 115494718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).