N-[(1S)-1-(2-bromophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide

C14H21BrN2O — CID 81397513

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)N[C@@H](C)c1ccccc1Br
InChIInChI=1S/C14H21BrN2O/c1-4-16-9-10(2)14(18)17-11(3)12-7-5-6-8-13(12)15/h5-8,10-11,16H,4,9H2,1-3H3,(H,17,18)/t10?,11-/m0/s1
InChIKeyGWKOWMLJUFKZMR-DTIOYNMSSA-N
MW313.24 g/mol
LogP2.87
Rot. Bonds6

About N-[(1S)-1-(2-bromophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide

N-[(1S)-1-(2-bromophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide (PubChem CID 81397513) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
PubChem CID81397513
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)N[C@@H](C)c1ccccc1Br
InChIInChI=1S/C14H21BrN2O/c1-4-16-9-10(2)14(18)17-11(3)12-7-5-6-8-13(12)15/h5-8,10-11,16H,4,9H2,1-3H3,(H,17,18)/t10?,11-/m0/s1
InChIKeyGWKOWMLJUFKZMR-DTIOYNMSSA-N
XLogP2.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79195760
3-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropanamide
CID 62851853
N-[1-(2-bromophenyl)ethyl]-2-methyl-3-methylsulfonylpropanamide
CID 122144544
2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]butanamide
CID 81397158
N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-difluoroacetamide
CID 103515890
2-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]-3-methylbutanamide
CID 81383036
2-amino-N-[1-(2-bromophenyl)ethyl]pentanamide;hydrochloride
CID 119269427
3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutanamide
CID 113416387
2-amino-N-[1-(2-bromophenyl)ethyl]-3-phenylpropanamide
CID 43701793
N-[1-(2,5-difluorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 62852524
2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983408
3-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-methylpropanoic acid
CID 81383114

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide (CID 81397513) is N-[(1S)-1-(2-bromophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide is CCNCC(C)C(=O)N[C@@H](C)c1ccccc1Br.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide?
The InChIKey is GWKOWMLJUFKZMR-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-4-16-9-10(2)14(18)17-11(3)12-7-5-6-8-13(12)15/h5-8,10-11,16H,4,9H2,1-3H3,(H,17,18)/t10?,11-/m0/s1.
What are the key properties of N-[(1S)-1-(2-bromophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide?
N-[(1S)-1-(2-bromophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide has a molecular weight of 313.24 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-bromophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 81397513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).