3-amino-N-[2-(4-bromophenyl)ethyl]-N,3-dimethylbutanamide

C14H21BrN2O — CID 115155083

IUPAC3-amino-N-[2-(4-bromophenyl)ethyl]-N,3-dimethylbutanamide
SMILESCN(CCc1ccc(Br)cc1)C(=O)CC(C)(C)N
InChIInChI=1S/C14H21BrN2O/c1-14(2,16)10-13(18)17(3)9-8-11-4-6-12(15)7-5-11/h4-7H,8-10,16H2,1-3H3
InChIKeyPRZFNINWYZPTNA-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.58
Rot. Bonds5

About 3-amino-N-[2-(4-bromophenyl)ethyl]-N,3-dimethylbutanamide

3-amino-N-[2-(4-bromophenyl)ethyl]-N,3-dimethylbutanamide (PubChem CID 115155083) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 3-amino-N-[2-(4-bromophenyl)ethyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-bromophenyl)ethyl]-N,3-dimethylbutanamide
PubChem CID115155083
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name3-amino-N-[2-(4-bromophenyl)ethyl]-N,3-dimethylbutanamide
SMILESCN(CCc1ccc(Br)cc1)C(=O)CC(C)(C)N
InChIInChI=1S/C14H21BrN2O/c1-14(2,16)10-13(18)17(3)9-8-11-4-6-12(15)7-5-11/h4-7H,8-10,16H2,1-3H3
InChIKeyPRZFNINWYZPTNA-UHFFFAOYSA-N
XLogP2.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(4-fluorophenyl)ethyl]-N,3-dimethylbutanamide
CID 115155081
2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-phenylpropanamide
CID 120591489
4-[3-[2-(4-bromophenyl)ethyl-methylamino]-3-oxopropyl]benzoic acid
CID 119184024
7-amino-N-[2-(4-bromophenyl)ethyl]-N-methylheptanamide
CID 119771019
N-[2-(4-bromophenyl)ethyl]-N-methyl-3-(methylamino)propanamide
CID 115153366
N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158337
3-amino-N,3-dimethyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide
CID 115155110
3-amino-N-[(4-tert-butylphenyl)methyl]-N,3-dimethylbutanamide
CID 64685652
N-[(4-bromophenyl)methyl]-3,3,3-trifluoro-N-methylpropanamide
CID 60731305
2-amino-N-[2-(4-tert-butylphenyl)ethyl]-N-methylacetamide
CID 94689627
4-amino-N-[2-(3-bromophenyl)ethyl]-N,4-dimethylpentanamide
CID 115157634
N-[2-(4-bromophenyl)ethyl]-2-(cyclopropylamino)-N-methylacetamide
CID 115158559

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-bromophenyl)ethyl]-N,3-dimethylbutanamide?
The IUPAC name of 3-amino-N-[2-(4-bromophenyl)ethyl]-N,3-dimethylbutanamide (CID 115155083) is 3-amino-N-[2-(4-bromophenyl)ethyl]-N,3-dimethylbutanamide.
What is the SMILES notation for 3-amino-N-[2-(4-bromophenyl)ethyl]-N,3-dimethylbutanamide?
The canonical SMILES for 3-amino-N-[2-(4-bromophenyl)ethyl]-N,3-dimethylbutanamide is CN(CCc1ccc(Br)cc1)C(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-N-[2-(4-bromophenyl)ethyl]-N,3-dimethylbutanamide?
The InChIKey is PRZFNINWYZPTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-14(2,16)10-13(18)17(3)9-8-11-4-6-12(15)7-5-11/h4-7H,8-10,16H2,1-3H3.
What are the key properties of 3-amino-N-[2-(4-bromophenyl)ethyl]-N,3-dimethylbutanamide?
3-amino-N-[2-(4-bromophenyl)ethyl]-N,3-dimethylbutanamide has a molecular weight of 313.24 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-bromophenyl)ethyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 115155083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).