2-[4-(2-aminobutyl)phenoxy]-N,N-dimethylacetamide

C14H22N2O2 — CID 54930931

IUPAC2-[4-(2-aminobutyl)phenoxy]-N,N-dimethylacetamide
SMILESCCC(N)Cc1ccc(OCC(=O)N(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-4-12(15)9-11-5-7-13(8-6-11)18-10-14(17)16(2)3/h5-8,12H,4,9-10,15H2,1-3H3
InChIKeyDQZNVMXBFAJSQE-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.43
Rot. Bonds6

About 2-[4-(2-aminobutyl)phenoxy]-N,N-dimethylacetamide

2-[4-(2-aminobutyl)phenoxy]-N,N-dimethylacetamide (PubChem CID 54930931) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[4-(2-aminobutyl)phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminobutyl)phenoxy]-N,N-dimethylacetamide
PubChem CID54930931
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[4-(2-aminobutyl)phenoxy]-N,N-dimethylacetamide
SMILESCCC(N)Cc1ccc(OCC(=O)N(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-4-12(15)9-11-5-7-13(8-6-11)18-10-14(17)16(2)3/h5-8,12H,4,9-10,15H2,1-3H3
InChIKeyDQZNVMXBFAJSQE-UHFFFAOYSA-N
XLogP1.43
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)butan-2-amine
CID 43566029
2-[4-[(1R)-1-aminopropyl]phenoxy]-N,N-dimethylacetamide
CID 30078683
1-[4-(2-bromoprop-2-enoxy)phenyl]butan-2-amine
CID 60907565
1-[4-(4-ethoxyphenoxy)phenyl]butan-2-amine
CID 63816977
2-[4-(2-aminobutyl)phenoxy]-N-butylacetamide
CID 61485616
2-[3-(2-aminobutyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60907872
2-[4-(4-aminobutyl)phenoxy]-N,N-dimethylacetamide
CID 22054431
2-(4-ethylphenoxy)-N-methylacetohydrazide
CID 116820497
2-[4-(2-amino-3-hydroxypropyl)phenoxy]acetic acid
CID 170892009
1-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine
CID 60907948
1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 60906849
N,N-dimethyl-2-[4-[1-(propylamino)propyl]phenoxy]acetamide
CID 43280198

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminobutyl)phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(2-aminobutyl)phenoxy]-N,N-dimethylacetamide (CID 54930931) is 2-[4-(2-aminobutyl)phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(2-aminobutyl)phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(2-aminobutyl)phenoxy]-N,N-dimethylacetamide is CCC(N)Cc1ccc(OCC(=O)N(C)C)cc1.
What is the InChIKey of 2-[4-(2-aminobutyl)phenoxy]-N,N-dimethylacetamide?
The InChIKey is DQZNVMXBFAJSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-12(15)9-11-5-7-13(8-6-11)18-10-14(17)16(2)3/h5-8,12H,4,9-10,15H2,1-3H3.
What are the key properties of 2-[4-(2-aminobutyl)phenoxy]-N,N-dimethylacetamide?
2-[4-(2-aminobutyl)phenoxy]-N,N-dimethylacetamide has a molecular weight of 250.34 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminobutyl)phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 54930931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).