2-[2-(2-aminobutyl)-4-bromophenoxy]-N-(cyclopropylmethyl)acetamide

C16H23BrN2O2 — CID 60907106

IUPAC2-[2-(2-aminobutyl)-4-bromophenoxy]-N-(cyclopropylmethyl)acetamide
SMILESCCC(N)Cc1cc(Br)ccc1OCC(=O)NCC1CC1
InChIInChI=1S/C16H23BrN2O2/c1-2-14(18)8-12-7-13(17)5-6-15(12)21-10-16(20)19-9-11-3-4-11/h5-7,11,14H,2-4,8-10,18H2,1H3,(H,19,20)
InChIKeyLWDVFWIHBXMWEL-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.63
Rot. Bonds8

About 2-[2-(2-aminobutyl)-4-bromophenoxy]-N-(cyclopropylmethyl)acetamide

2-[2-(2-aminobutyl)-4-bromophenoxy]-N-(cyclopropylmethyl)acetamide (PubChem CID 60907106) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-[2-(2-aminobutyl)-4-bromophenoxy]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-aminobutyl)-4-bromophenoxy]-N-(cyclopropylmethyl)acetamide
PubChem CID60907106
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name2-[2-(2-aminobutyl)-4-bromophenoxy]-N-(cyclopropylmethyl)acetamide
SMILESCCC(N)Cc1cc(Br)ccc1OCC(=O)NCC1CC1
InChIInChI=1S/C16H23BrN2O2/c1-2-14(18)8-12-7-13(17)5-6-15(12)21-10-16(20)19-9-11-3-4-11/h5-7,11,14H,2-4,8-10,18H2,1H3,(H,19,20)
InChIKeyLWDVFWIHBXMWEL-UHFFFAOYSA-N
XLogP2.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide
CID 65430722
methyl 3-[2-(2-aminobutyl)-4-bromophenoxy]-2,2-dimethylpropanoate
CID 79620900
2-(2,4-dibromophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106122198
2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylacetamide
CID 107701396
2-[2-(2-aminobutyl)-4-methylphenoxy]-N-butylacetamide
CID 63326256
1-(5-bromo-2-pentoxyphenyl)butan-2-amine
CID 55197493
2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-prop-2-enylacetamide
CID 60906880
2-[2-(2-aminobutyl)-4-bromophenoxy]butanamide
CID 62900256
1-(5-bromo-2-hexoxyphenyl)butan-2-amine
CID 63421563
2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide
CID 19201445
2-(2-amino-4-bromophenoxy)-N-ethylacetamide
CID 65430348
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopropylacetamide
CID 54931519

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminobutyl)-4-bromophenoxy]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[2-(2-aminobutyl)-4-bromophenoxy]-N-(cyclopropylmethyl)acetamide (CID 60907106) is 2-[2-(2-aminobutyl)-4-bromophenoxy]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[2-(2-aminobutyl)-4-bromophenoxy]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[2-(2-aminobutyl)-4-bromophenoxy]-N-(cyclopropylmethyl)acetamide is CCC(N)Cc1cc(Br)ccc1OCC(=O)NCC1CC1.
What is the InChIKey of 2-[2-(2-aminobutyl)-4-bromophenoxy]-N-(cyclopropylmethyl)acetamide?
The InChIKey is LWDVFWIHBXMWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-2-14(18)8-12-7-13(17)5-6-15(12)21-10-16(20)19-9-11-3-4-11/h5-7,11,14H,2-4,8-10,18H2,1H3,(H,19,20).
What are the key properties of 2-[2-(2-aminobutyl)-4-bromophenoxy]-N-(cyclopropylmethyl)acetamide?
2-[2-(2-aminobutyl)-4-bromophenoxy]-N-(cyclopropylmethyl)acetamide has a molecular weight of 355.28 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminobutyl)-4-bromophenoxy]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 60907106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).