N-(4-bromo-3-methoxyphenyl)-3-(tert-butylamino)propanamide

C14H21BrN2O2 — CID 82867959

IUPACN-(4-bromo-3-methoxyphenyl)-3-(tert-butylamino)propanamide
SMILESCOc1cc(NC(=O)CCNC(C)(C)C)ccc1Br
InChIInChI=1S/C14H21BrN2O2/c1-14(2,3)16-8-7-13(18)17-10-5-6-11(15)12(9-10)19-4/h5-6,9,16H,7-8H2,1-4H3,(H,17,18)
InChIKeyPSWYEKUBCYQRBB-UHFFFAOYSA-N
MW329.24 g/mol
LogP3.17
Rot. Bonds5

About N-(4-bromo-3-methoxyphenyl)-3-(tert-butylamino)propanamide

N-(4-bromo-3-methoxyphenyl)-3-(tert-butylamino)propanamide (PubChem CID 82867959) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is N-(4-bromo-3-methoxyphenyl)-3-(tert-butylamino)propanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methoxyphenyl)-3-(tert-butylamino)propanamide
PubChem CID82867959
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC NameN-(4-bromo-3-methoxyphenyl)-3-(tert-butylamino)propanamide
SMILESCOc1cc(NC(=O)CCNC(C)(C)C)ccc1Br
InChIInChI=1S/C14H21BrN2O2/c1-14(2,3)16-8-7-13(18)17-10-5-6-11(15)12(9-10)19-4/h5-6,9,16H,7-8H2,1-4H3,(H,17,18)
InChIKeyPSWYEKUBCYQRBB-UHFFFAOYSA-N
XLogP3.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109031433
6-amino-N-(4-bromo-3-methoxyphenyl)-4,4-dimethylhexanamide
CID 82867638
6-amino-N-(4-bromo-3-methoxyphenyl)hexanamide
CID 82867477
N-(6-bromonaphthalen-2-yl)-3-(tert-butylamino)propanamide
CID 81266206
N-(4-bromo-3-methoxyphenyl)-2-(ethylamino)-2-methylpropanamide
CID 82868301
N-(3-bromo-4-methylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109039288
6-amino-N-(4-bromo-3-methoxyphenyl)-4-methylhexanamide
CID 82867797
N-(4-bromo-3-methoxyphenyl)-2-ethoxyacetamide
CID 79421127
2-[2-(4-bromo-3-methoxyanilino)-2-oxoethoxy]acetic acid
CID 82857878
4-[(4-bromo-3-methoxyphenyl)carbamoylamino]butanoic acid
CID 82859610
methyl 5-[3-(tert-butylamino)propanoylamino]-2-fluorobenzoate
CID 60849582
4-(4-bromo-3-methoxyanilino)-2,2-diethyl-4-oxobutanoic acid
CID 79451102

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methoxyphenyl)-3-(tert-butylamino)propanamide?
The IUPAC name of N-(4-bromo-3-methoxyphenyl)-3-(tert-butylamino)propanamide (CID 82867959) is N-(4-bromo-3-methoxyphenyl)-3-(tert-butylamino)propanamide.
What is the SMILES notation for N-(4-bromo-3-methoxyphenyl)-3-(tert-butylamino)propanamide?
The canonical SMILES for N-(4-bromo-3-methoxyphenyl)-3-(tert-butylamino)propanamide is COc1cc(NC(=O)CCNC(C)(C)C)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methoxyphenyl)-3-(tert-butylamino)propanamide?
The InChIKey is PSWYEKUBCYQRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-14(2,3)16-8-7-13(18)17-10-5-6-11(15)12(9-10)19-4/h5-6,9,16H,7-8H2,1-4H3,(H,17,18).
What are the key properties of N-(4-bromo-3-methoxyphenyl)-3-(tert-butylamino)propanamide?
N-(4-bromo-3-methoxyphenyl)-3-(tert-butylamino)propanamide has a molecular weight of 329.24 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methoxyphenyl)-3-(tert-butylamino)propanamide is sourced from PubChem (CID 82867959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).