N-(4-bromo-3-methylphenyl)-3-[cyclopropylmethyl(propyl)amino]propanamide

C17H25BrN2O — CID 2902696

IUPACN-(4-bromo-3-methylphenyl)-3-[cyclopropylmethyl(propyl)amino]propanamide
SMILESCCCN(CCC(=O)Nc1ccc(Br)c(C)c1)CC1CC1
InChIInChI=1S/C17H25BrN2O/c1-3-9-20(12-14-4-5-14)10-8-17(21)19-15-6-7-16(18)13(2)11-15/h6-7,11,14H,3-5,8-10,12H2,1-2H3,(H,19,21)
InChIKeyZSZPPDYLEWGLGZ-UHFFFAOYSA-N
MW353.30 g/mol
LogP4.21
Rot. Bonds8

About N-(4-bromo-3-methylphenyl)-3-[cyclopropylmethyl(propyl)amino]propanamide

N-(4-bromo-3-methylphenyl)-3-[cyclopropylmethyl(propyl)amino]propanamide (PubChem CID 2902696) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-[cyclopropylmethyl(propyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-[cyclopropylmethyl(propyl)amino]propanamide
PubChem CID2902696
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC NameN-(4-bromo-3-methylphenyl)-3-[cyclopropylmethyl(propyl)amino]propanamide
SMILESCCCN(CCC(=O)Nc1ccc(Br)c(C)c1)CC1CC1
InChIInChI=1S/C17H25BrN2O/c1-3-9-20(12-14-4-5-14)10-8-17(21)19-15-6-7-16(18)13(2)11-15/h6-7,11,14H,3-5,8-10,12H2,1-2H3,(H,19,21)
InChIKeyZSZPPDYLEWGLGZ-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropylmethyl(propyl)amino]-N-(3-fluorophenyl)propanamide;hydrochloride
CID 90483417
N-(3,4-dimethylphenyl)-3-(dipropylamino)propanamide
CID 109033116
3-(4-bromo-3-methylphenyl)-1-(cyclopropylmethyl)-1-propylthiourea
CID 3837005
2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008549
N-(4-bromo-3-methylphenyl)-3-[butyl(methyl)amino]propanamide;hydrochloride
CID 2902956
3-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)propanamide
CID 113116671
N-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide
CID 2679466
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 773010
N-(3-amino-4-fluorophenyl)-3-[cyclopropylmethyl(ethyl)amino]propanamide
CID 63955514
N-(4-bromo-3-methylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
CID 119932900
ethyl 3-[[3-(3-chloro-4-cyanoanilino)-3-oxopropyl]-(cyclopropylmethyl)amino]propanoate
CID 56526255
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride
CID 23724258

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-[cyclopropylmethyl(propyl)amino]propanamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-[cyclopropylmethyl(propyl)amino]propanamide (CID 2902696) is N-(4-bromo-3-methylphenyl)-3-[cyclopropylmethyl(propyl)amino]propanamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-[cyclopropylmethyl(propyl)amino]propanamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-[cyclopropylmethyl(propyl)amino]propanamide is CCCN(CCC(=O)Nc1ccc(Br)c(C)c1)CC1CC1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-[cyclopropylmethyl(propyl)amino]propanamide?
The InChIKey is ZSZPPDYLEWGLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-3-9-20(12-14-4-5-14)10-8-17(21)19-15-6-7-16(18)13(2)11-15/h6-7,11,14H,3-5,8-10,12H2,1-2H3,(H,19,21).
What are the key properties of N-(4-bromo-3-methylphenyl)-3-[cyclopropylmethyl(propyl)amino]propanamide?
N-(4-bromo-3-methylphenyl)-3-[cyclopropylmethyl(propyl)amino]propanamide has a molecular weight of 353.30 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-[cyclopropylmethyl(propyl)amino]propanamide is sourced from PubChem (CID 2902696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).