N-[2-(3-bromophenyl)-2-methylpropyl]-1-(methylaminomethyl)cyclopropane-1-carboxamide

C16H23BrN2O — CID 115183179

IUPACN-[2-(3-bromophenyl)-2-methylpropyl]-1-(methylaminomethyl)cyclopropane-1-carboxamide
SMILESCNCC1(C(=O)NCC(C)(C)c2cccc(Br)c2)CC1
InChIInChI=1S/C16H23BrN2O/c1-15(2,12-5-4-6-13(17)9-12)10-19-14(20)16(7-8-16)11-18-3/h4-6,9,18H,7-8,10-11H2,1-3H3,(H,19,20)
InChIKeyCTRRNIOGXQFKRE-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.84
Rot. Bonds6

About N-[2-(3-bromophenyl)-2-methylpropyl]-1-(methylaminomethyl)cyclopropane-1-carboxamide

N-[2-(3-bromophenyl)-2-methylpropyl]-1-(methylaminomethyl)cyclopropane-1-carboxamide (PubChem CID 115183179) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-2-methylpropyl]-1-(methylaminomethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-2-methylpropyl]-1-(methylaminomethyl)cyclopropane-1-carboxamide
PubChem CID115183179
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC NameN-[2-(3-bromophenyl)-2-methylpropyl]-1-(methylaminomethyl)cyclopropane-1-carboxamide
SMILESCNCC1(C(=O)NCC(C)(C)c2cccc(Br)c2)CC1
InChIInChI=1S/C16H23BrN2O/c1-15(2,12-5-4-6-13(17)9-12)10-19-14(20)16(7-8-16)11-18-3/h4-6,9,18H,7-8,10-11H2,1-3H3,(H,19,20)
InChIKeyCTRRNIOGXQFKRE-UHFFFAOYSA-N
XLogP2.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-[2-(3-bromophenyl)-2-methylpropyl]urea
CID 115193202
methyl 2-[[2-(3-bromophenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 115142674
N-[2-(4-bromophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182484
N-[2-(3-bromophenyl)-2-methylpropyl]-3-chloropropanamide
CID 115162745
(2S)-2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3,3-dimethylbutanamide
CID 119767554
N-[2-(3-bromophenyl)-2-methylpropyl]-2-cyanoacetamide
CID 115173449
2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-hydroxypropanamide
CID 115180213
3-[[2-(3-bromophenyl)-2-methylpropyl]amino]-2-methyl-3-oxopropanoic acid
CID 115164417
1-(3-bromophenyl)-3-(2-methyl-2-phenylpropyl)urea
CID 113213313
1-(aminomethyl)-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide
CID 115182837
3-bromo-N-[2-(3-bromophenyl)-2-methylpropyl]thiophene-2-carboxamide
CID 60621665
3-[[2-(3-bromophenyl)-2-methylpropyl]amino]propanoic acid
CID 115218396

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-2-methylpropyl]-1-(methylaminomethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(3-bromophenyl)-2-methylpropyl]-1-(methylaminomethyl)cyclopropane-1-carboxamide (CID 115183179) is N-[2-(3-bromophenyl)-2-methylpropyl]-1-(methylaminomethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(3-bromophenyl)-2-methylpropyl]-1-(methylaminomethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(3-bromophenyl)-2-methylpropyl]-1-(methylaminomethyl)cyclopropane-1-carboxamide is CNCC1(C(=O)NCC(C)(C)c2cccc(Br)c2)CC1.
What is the InChIKey of N-[2-(3-bromophenyl)-2-methylpropyl]-1-(methylaminomethyl)cyclopropane-1-carboxamide?
The InChIKey is CTRRNIOGXQFKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-15(2,12-5-4-6-13(17)9-12)10-19-14(20)16(7-8-16)11-18-3/h4-6,9,18H,7-8,10-11H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(3-bromophenyl)-2-methylpropyl]-1-(methylaminomethyl)cyclopropane-1-carboxamide?
N-[2-(3-bromophenyl)-2-methylpropyl]-1-(methylaminomethyl)cyclopropane-1-carboxamide has a molecular weight of 339.28 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-2-methylpropyl]-1-(methylaminomethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115183179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).