2-[1-(4-bromophenyl)ethylamino]-N-butan-2-ylacetamide

C14H21BrN2O — CID 60693866

IUPAC2-[1-(4-bromophenyl)ethylamino]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CNC(C)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-4-10(2)17-14(18)9-16-11(3)12-5-7-13(15)8-6-12/h5-8,10-11,16H,4,9H2,1-3H3,(H,17,18)
InChIKeySSWPQEAPHJMGGR-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.01
Rot. Bonds6

About 2-[1-(4-bromophenyl)ethylamino]-N-butan-2-ylacetamide

2-[1-(4-bromophenyl)ethylamino]-N-butan-2-ylacetamide (PubChem CID 60693866) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)ethylamino]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)ethylamino]-N-butan-2-ylacetamide
PubChem CID60693866
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-[1-(4-bromophenyl)ethylamino]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CNC(C)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-4-10(2)17-14(18)9-16-11(3)12-5-7-13(15)8-6-12/h5-8,10-11,16H,4,9H2,1-3H3,(H,17,18)
InChIKeySSWPQEAPHJMGGR-UHFFFAOYSA-N
XLogP3.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 81359750
N-[1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 60646828
N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 81354162
N-butan-2-yl-2-[1-(4-ethylphenyl)ethylamino]acetamide
CID 60693867
2-[1-(4-bromophenyl)ethylamino]-N-ethylacetamide
CID 43400964
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide
CID 81359238
(2S,3S)-2-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099946
2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide
CID 43398074
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethyl-N-methylacetamide
CID 81360039
2-[1-(4-ethylphenyl)ethylamino]-N-pentan-2-ylacetamide
CID 60693789
(2R)-N-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 94215803
2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
CID 9001571

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)ethylamino]-N-butan-2-ylacetamide?
The IUPAC name of 2-[1-(4-bromophenyl)ethylamino]-N-butan-2-ylacetamide (CID 60693866) is 2-[1-(4-bromophenyl)ethylamino]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[1-(4-bromophenyl)ethylamino]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[1-(4-bromophenyl)ethylamino]-N-butan-2-ylacetamide is CCC(C)NC(=O)CNC(C)c1ccc(Br)cc1.
What is the InChIKey of 2-[1-(4-bromophenyl)ethylamino]-N-butan-2-ylacetamide?
The InChIKey is SSWPQEAPHJMGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-4-10(2)17-14(18)9-16-11(3)12-5-7-13(15)8-6-12/h5-8,10-11,16H,4,9H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-(4-bromophenyl)ethylamino]-N-butan-2-ylacetamide?
2-[1-(4-bromophenyl)ethylamino]-N-butan-2-ylacetamide has a molecular weight of 313.24 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)ethylamino]-N-butan-2-ylacetamide is sourced from PubChem (CID 60693866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).