N-[1-(2-bromophenyl)ethyl]-2-(cyclopropylmethylamino)-N-propylacetamide

C17H25BrN2O — CID 60946925

IUPACN-[1-(2-bromophenyl)ethyl]-2-(cyclopropylmethylamino)-N-propylacetamide
SMILESCCCN(C(=O)CNCC1CC1)C(C)c1ccccc1Br
InChIInChI=1S/C17H25BrN2O/c1-3-10-20(17(21)12-19-11-14-8-9-14)13(2)15-6-4-5-7-16(15)18/h4-7,13-14,19H,3,8-12H2,1-2H3
InChIKeyZDFMRVAVWSHFOL-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.75
Rot. Bonds8

About N-[1-(2-bromophenyl)ethyl]-2-(cyclopropylmethylamino)-N-propylacetamide

N-[1-(2-bromophenyl)ethyl]-2-(cyclopropylmethylamino)-N-propylacetamide (PubChem CID 60946925) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-2-(cyclopropylmethylamino)-N-propylacetamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-2-(cyclopropylmethylamino)-N-propylacetamide
PubChem CID60946925
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC NameN-[1-(2-bromophenyl)ethyl]-2-(cyclopropylmethylamino)-N-propylacetamide
SMILESCCCN(C(=O)CNCC1CC1)C(C)c1ccccc1Br
InChIInChI=1S/C17H25BrN2O/c1-3-10-20(17(21)12-19-11-14-8-9-14)13(2)15-6-4-5-7-16(15)18/h4-7,13-14,19H,3,8-12H2,1-2H3
InChIKeyZDFMRVAVWSHFOL-UHFFFAOYSA-N
XLogP3.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-(cyclopropylmethylamino)-N-propylacetamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-(cyclopropylmethylamino)-N-propylacetamide (CID 60946925) is N-[1-(2-bromophenyl)ethyl]-2-(cyclopropylmethylamino)-N-propylacetamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-2-(cyclopropylmethylamino)-N-propylacetamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-2-(cyclopropylmethylamino)-N-propylacetamide is CCCN(C(=O)CNCC1CC1)C(C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-2-(cyclopropylmethylamino)-N-propylacetamide?
The InChIKey is ZDFMRVAVWSHFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-3-10-20(17(21)12-19-11-14-8-9-14)13(2)15-6-4-5-7-16(15)18/h4-7,13-14,19H,3,8-12H2,1-2H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-2-(cyclopropylmethylamino)-N-propylacetamide?
N-[1-(2-bromophenyl)ethyl]-2-(cyclopropylmethylamino)-N-propylacetamide has a molecular weight of 353.30 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-2-(cyclopropylmethylamino)-N-propylacetamide is sourced from PubChem (CID 60946925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).