N-(3-bromo-4-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide

C15H20BrN3O2 — CID 113060416

IUPACN-(3-bromo-4-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNC(=O)NC1CC1)c1ccc(C)c(Br)c1
InChIInChI=1S/C15H20BrN3O2/c1-10-3-6-13(9-14(10)16)19(11(2)20)8-7-17-15(21)18-12-4-5-12/h3,6,9,12H,4-5,7-8H2,1-2H3,(H2,17,18,21)
InChIKeyDNSOPHFGCYYMJR-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.57
Rot. Bonds5

About N-(3-bromo-4-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide

N-(3-bromo-4-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide (PubChem CID 113060416) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
PubChem CID113060416
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC NameN-(3-bromo-4-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNC(=O)NC1CC1)c1ccc(C)c(Br)c1
InChIInChI=1S/C15H20BrN3O2/c1-10-3-6-13(9-14(10)16)19(11(2)20)8-7-17-15(21)18-12-4-5-12/h3,6,9,12H,4-5,7-8H2,1-2H3,(H2,17,18,21)
InChIKeyDNSOPHFGCYYMJR-UHFFFAOYSA-N
XLogP2.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3,5-dimethylphenyl)acetamide
CID 113058035
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(4-fluorophenyl)acetamide
CID 113059350
N-(4-bromo-2-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113062891
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3-methoxyphenyl)acetamide
CID 113060593
N-(4-acetylphenyl)-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide
CID 113061686
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-phenylacetamide
CID 113057217
1-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]-3-cyclopropylurea
CID 113071624
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2-ethylphenyl)acetamide
CID 113058350
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2,4-difluorophenyl)acetamide
CID 113063349
2-(N-acetyl-3,4-dimethylanilino)-N-cyclopropylacetamide
CID 113168237
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]acetamide
CID 113057862
N-[2-(N-acetyl-3-bromo-4-methylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 113060405

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide (CID 113060416) is N-(3-bromo-4-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide is CC(=O)N(CCNC(=O)NC1CC1)c1ccc(C)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide?
The InChIKey is DNSOPHFGCYYMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-10-3-6-13(9-14(10)16)19(11(2)20)8-7-17-15(21)18-12-4-5-12/h3,6,9,12H,4-5,7-8H2,1-2H3,(H2,17,18,21).
What are the key properties of N-(3-bromo-4-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide?
N-(3-bromo-4-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide has a molecular weight of 354.25 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide is sourced from PubChem (CID 113060416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).