N-(4-bromo-3,5-dimethylphenyl)-3-(propan-2-ylamino)propanamide

C14H21BrN2O — CID 107574235

IUPACN-(4-bromo-3,5-dimethylphenyl)-3-(propan-2-ylamino)propanamide
SMILESCc1cc(NC(=O)CCNC(C)C)cc(C)c1Br
InChIInChI=1S/C14H21BrN2O/c1-9(2)16-6-5-13(18)17-12-7-10(3)14(15)11(4)8-12/h7-9,16H,5-6H2,1-4H3,(H,17,18)
InChIKeyRLGFCOWPAFZZJI-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.39
Rot. Bonds5

About N-(4-bromo-3,5-dimethylphenyl)-3-(propan-2-ylamino)propanamide

N-(4-bromo-3,5-dimethylphenyl)-3-(propan-2-ylamino)propanamide (PubChem CID 107574235) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-3-(propan-2-ylamino)propanamide
PubChem CID107574235
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-3-(propan-2-ylamino)propanamide
SMILESCc1cc(NC(=O)CCNC(C)C)cc(C)c1Br
InChIInChI=1S/C14H21BrN2O/c1-9(2)16-6-5-13(18)17-12-7-10(3)14(15)11(4)8-12/h7-9,16H,5-6H2,1-4H3,(H,17,18)
InChIKeyRLGFCOWPAFZZJI-UHFFFAOYSA-N
XLogP3.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-methylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852007
5-bromo-N-(4-bromo-3,5-dimethylphenyl)pentanamide
CID 66818039
N-(5-bromo-4-methyl-2-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 79734413
N-(3-bromo-4-methylphenyl)-4-(propan-2-ylamino)butanamide
CID 63334817
3-(propan-2-ylamino)-N-(2,4,6-tribromophenyl)propanamide
CID 60854870
2-amino-N-(4-bromo-3,5-dimethylphenyl)acetamide
CID 107574130
N-(2,6-dimethylphenyl)-3-(propan-2-ylamino)propanamide
CID 54924858
N-(4-bromo-3,5-dimethylphenyl)-3,3-dimethylbutanamide
CID 107574880
ethyl N-[4-[3-(propan-2-ylamino)propanoylamino]phenyl]carbamate
CID 60853812
N-(3-bromo-4-methylphenyl)-3-(butan-2-ylamino)propanamide
CID 109013184
3-amino-N-(4-bromo-3,5-dimethylphenyl)pentanamide
CID 107574314
N-(3-fluoro-4-hydroxyphenyl)-3-(propan-2-ylamino)propanamide
CID 64782585

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-3-(propan-2-ylamino)propanamide (CID 107574235) is N-(4-bromo-3,5-dimethylphenyl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-3-(propan-2-ylamino)propanamide is Cc1cc(NC(=O)CCNC(C)C)cc(C)c1Br.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-3-(propan-2-ylamino)propanamide?
The InChIKey is RLGFCOWPAFZZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-9(2)16-6-5-13(18)17-12-7-10(3)14(15)11(4)8-12/h7-9,16H,5-6H2,1-4H3,(H,17,18).
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-3-(propan-2-ylamino)propanamide?
N-(4-bromo-3,5-dimethylphenyl)-3-(propan-2-ylamino)propanamide has a molecular weight of 313.24 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 107574235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).