2-[(5-bromofuran-2-yl)methyl-methylamino]-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide

C15H22BrN3O3 — CID 86984213

IUPAC2-[(5-bromofuran-2-yl)methyl-methylamino]-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
SMILESCC(C(=O)N(C)CC(=O)NC1CC1)N(C)Cc1ccc(Br)o1
InChIInChI=1S/C15H22BrN3O3/c1-10(18(2)8-12-6-7-13(16)22-12)15(21)19(3)9-14(20)17-11-4-5-11/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,20)
InChIKeyPARHZHKSTJRXQM-UHFFFAOYSA-N
MW372.26 g/mol
LogP1.60
Rot. Bonds7

About 2-[(5-bromofuran-2-yl)methyl-methylamino]-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide

2-[(5-bromofuran-2-yl)methyl-methylamino]-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide (PubChem CID 86984213) has the molecular formula C15H22BrN3O3 and a molecular weight of 372.26 g/mol. Its IUPAC name is 2-[(5-bromofuran-2-yl)methyl-methylamino]-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(5-bromofuran-2-yl)methyl-methylamino]-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
PubChem CID86984213
Molecular FormulaC15H22BrN3O3
Molecular Weight372.26 g/mol
Exact Mass371.08
IUPAC Name2-[(5-bromofuran-2-yl)methyl-methylamino]-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
SMILESCC(C(=O)N(C)CC(=O)NC1CC1)N(C)Cc1ccc(Br)o1
InChIInChI=1S/C15H22BrN3O3/c1-10(18(2)8-12-6-7-13(16)22-12)15(21)19(3)9-14(20)17-11-4-5-11/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,20)
InChIKeyPARHZHKSTJRXQM-UHFFFAOYSA-N
XLogP1.60
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 86918903
N-benzyl-2-[(5-bromofuran-2-yl)methyl-methylamino]-N-methylpropanamide
CID 86984192
2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
CID 78870121
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
CID 86918815
N-[(5-bromofuran-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 54873279
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 78972028
2-[(5-bromofuran-2-yl)methyl-methylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
CID 78870188
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 106151192
2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-methylamino]-N-cyclopropylacetamide
CID 60681642
(2S)-N-(4-bromophenyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053206
2-[1-cyanoethyl(methyl)amino]-N-cyclopropylacetamide
CID 60670090
1-[(5-bromofuran-2-yl)methyl]-1-methylurea
CID 131134231

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromofuran-2-yl)methyl-methylamino]-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide?
The IUPAC name of 2-[(5-bromofuran-2-yl)methyl-methylamino]-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide (CID 86984213) is 2-[(5-bromofuran-2-yl)methyl-methylamino]-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide.
What is the SMILES notation for 2-[(5-bromofuran-2-yl)methyl-methylamino]-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide?
The canonical SMILES for 2-[(5-bromofuran-2-yl)methyl-methylamino]-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide is CC(C(=O)N(C)CC(=O)NC1CC1)N(C)Cc1ccc(Br)o1.
What is the InChIKey of 2-[(5-bromofuran-2-yl)methyl-methylamino]-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide?
The InChIKey is PARHZHKSTJRXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O3/c1-10(18(2)8-12-6-7-13(16)22-12)15(21)19(3)9-14(20)17-11-4-5-11/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,20).
What are the key properties of 2-[(5-bromofuran-2-yl)methyl-methylamino]-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide?
2-[(5-bromofuran-2-yl)methyl-methylamino]-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 372.26 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromofuran-2-yl)methyl-methylamino]-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 86984213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).